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Impurities and reference standards

16alpha-hydroxyestrone

Also known as 16alpha-OHE1, Hydroxyestrone-16alpha, (8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

CAS 566-76-7Formula C18H22O3Molar mass 286.37 g/molEC 637-216-5
GHS signal word: Warning. Pictograms: Serious health hazard 6 suppliers listed
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16alpha-hydroxyestrone chemical structure, C18H22O3, CAS 566-76-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
566-76-7
Formula
C18H22O3
Molar mass
286.37 g/mol
EC number
637-216-5
HS code
293723
Category
Impurities and reference standards

What is 16alpha-hydroxyestrone?

Plain description, key identifiers and synonyms

16alpha-hydroxyestrone is the 16alpha-hydroxy derivative of estrone, a minor estrogen metabolite. It has a role as an estrogen, a mouse metabolite, a human urinary metabolite and a human blood serum metabolite. It is a 16alpha-hydroxy steroid, a 17-oxo steroid, a secondary alpha-hydroxy ketone and a 3-hydroxy steroid. It is functionally related to an estrone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CAS number
566-76-7
EC number
637-216-5
Molecular formula
C18H22O3
UNII
JY611949JU
MDL number
MFCD00870436
InChIKey
WPOCIZJTELRQMF-QFXBJFAPSA-N
InChI
InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1
Canonical SMILES
CC12CCC3c4ccc(O)cc4CCC3C1CC(O)C2=O
Isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)O)CCC4=C3C=CC(=C4)O

Synonyms

  • 16alpha-OHE1
  • Hydroxyestrone-16alpha
  • (8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
  • 3,16alpha-dihydroxy-1,3,5(10)-estratrien-17-one
  • 16 alpha OHE
  • 3,16alpha-Dihydroxyestra-1,3,5(10)-trien-17-one
  • Estra-1,3,5(10)-trien-17-one, 3,16-dihydroxy-, (16alpha)-
  • estra-1,3,5(10)-triene-3,16alpha-diol-17-one
  • (8R,9S,13S,14S,16R)-3,16-Dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta(a)phenanthren-17-one
  • 16alpha-OHE
  • 16alpha-OH Estrone
  • 16-alphaOHE1
  • 16alpha-Hydroxy E1
  • 16|A-Hydroxyestrone
  • Estriol EP Impurity H
  • 16alpha-hydroxy estrone
  • 1,3,5[10]-Estratriene-3,16alpha-diol-17-one
  • 16a-Hydroxy Estrone
  • (8R,9S,13S,14S,16R)-3,16-Dihydroxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one
  • 1.16a-Hydroxyestrone
  • 16a-Hydroxyestrone
  • 16 alpha-hydroxyestrone
  • (9beta,13alpha,16beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one
  • 16|A-Hydroxy Estrone
  • 3,16alpha-Dihydroxyestra-1,3,5(10)-trien-17-one (16alpha-Hydroxyestrone)
Show all 33 synonyms
  • 3,16a-dihydroxy-estra-1,3,5(10)-trien-17-one
  • 16alphaHo-oe
  • 16??-Hydroxyestrone
  • 16?-Hydroxy Estrone
  • 3,16-Dihydroxyestra-1,3,5(10)-trien-17-one #
  • 16| cent-Hydroxyestrone
  • Estrone, 16alpha-hydroxy-
  • Estra-1,3,5(10)-triene-3,16a-diol-17-one

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
286.37 g/molcalc.
Exact mass
286.1569 Dacalc.
LogP (octanol/water)
2.79calc.
Topological polar surface area
57.53 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
21calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.61calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CCC2C1CCC1c3ccccc3CCC12

O=C1CCC2C1CCC1c3ccccc3CCC12

4 rings, 18 atoms.

176 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H351Suspected of causing cancer.
Precautionary statements (5)
  • P203Obtain, read and follow all safety instructions before use.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P318If exposed or concerned, get medical advice.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

16alpha-hydroxyestrone suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 6 suppliers
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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

6 suppliers in 3 countries

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16alpha-hydroxyestrone price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • agonist
  • animal metabolite
  • estrogen
  • eukaryotic metabolite
  • hormone
  • human blood serum metabolite
  • human metabolite
  • human urinary metabolite
  • mammalian metabolite
  • metabolite
  • molecular messenger
  • mouse metabolite
  • sex hormone

Pharmacology

16alpha-Hydroxyestrone is a metabolite formed during the catabolism of estrone by the liver through the hydroxylation of the carbon at position 16 by cytochrome P450 (CYP) family enzymes, including CYP3A4 and 3A5, with potential carcinogenic activity. With increased estrogenic activity compared to the parent compound, 16alpha-hydroxyestrone (16alpha-OHE1) increases the expression of ER-responsive genes, which leads to increased proliferation of susceptible tumor cells.

Read more

The ratio between the two estrogen metabolites, 2-hydroxyestrone (2-OHE1), a weak estrogen and metabolite from the 2-hydroxylation pathway, and 16alpha-OHE1, a metabolite from the 16-hydroxylation pathway, may be used to assess the risk of certain cancers, a higher ratio of 2-OHE1:16alpha-OHE1 correlates with decreased cancer risk.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 16alpha-hydroxyestrone is traded under.

HS 2937.23Indicative HS code

Oestrogens and progestogens

World exports in 2024
$762M
−2.3% vs 2023, imports $693M
2019 to 2024
Top exporters
  1. China42.9%
  2. Italy18.4%
  3. Netherlands8.9%
Top importers
  1. India * partner reported12.1%
  2. United States11.0%
  3. Belgium8.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for 16alpha-hydroxyestrone is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 16alpha-hydroxyestrone, based on the data on this page

What is 16alpha-hydroxyestrone?

16alpha-hydroxyestrone is the 16alpha-hydroxy derivative of estrone, a minor estrogen metabolite. It has a role as an estrogen, a mouse metabolite, a human urinary metabolite and a human blood serum metabolite. It is a 16alpha-hydroxy steroid, a 17-oxo steroid, a secondary alpha-hydroxy ketone and a 3-hydroxy steroid.

What is the CAS number of 16alpha-hydroxyestrone?

The CAS registry number of 16alpha-hydroxyestrone is 566-76-7.

What is the molecular formula and weight of 16alpha-hydroxyestrone?

The molecular formula of 16alpha-hydroxyestrone is C18H22O3 and its molar mass is 286.37 g/mol.

What is 16alpha-hydroxyestrone used for?

Known uses and roles of 16alpha-hydroxyestrone include agonist, animal metabolite, estrogen, eukaryotic metabolite, hormone and 8 more.

Is 16alpha-hydroxyestrone hazardous?

16alpha-hydroxyestrone carries the GHS signal word "Warning". Main hazards: suspected of causing cancer. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 16alpha-hydroxyestrone?

16alpha-hydroxyestrone is usually classified under HS code 293723 (Oestrogens and progestogens). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 16alpha-hydroxyestrone?

CompoundList lists 6 suppliers of 16alpha-hydroxyestrone in China, United States and Czech Republic. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 16alpha-hydroxyestrone?

Suppliers quote 16alpha-hydroxyestrone on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle 16alpha-hydroxyestrone

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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