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Steroids and sterols

16beta-hydroxyestrone

Also known as 3,16-Dihydroxyestra-1,3,5(10)-trien-17-one, 3,16beta-dihydroxyestra-1,3,5(10)-trien-17-one, 3,16beta-dihydroxy-estra-1,3,5(10)-trien-17-one

CAS 966-06-3Formula C18H22O3Molar mass 286.37 g/mol
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16beta-hydroxyestrone chemical structure, C18H22O3, CAS 966-06-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
966-06-3
Formula
C18H22O3
Molar mass
286.37 g/mol
HS code
293723
Category
Steroids and sterols

What is 16beta-hydroxyestrone?

Plain description, key identifiers and synonyms

16beta-hydroxyestrone is a 3-hydroxy steroid that is estrone substituted by a beta-hydroxy group at position 16. It has a role as an estrogen and a human xenobiotic metabolite. It is a 16beta-hydroxy steroid, a phenolic steroid, a 17-oxo steroid, a secondary alpha-hydroxy ketone, a member of phenols and a 3-hydroxy steroid. It is functionally related to an estrone. It derives from a hydride of an estrane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(8R,9S,13S,14S,16S)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CAS number
966-06-3
Molecular formula
C18H22O3
InChIKey
WPOCIZJTELRQMF-LFRCEIEQSA-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

  • 3,16-Dihydroxyestra-1,3,5(10)-trien-17-one
  • 3,16beta-dihydroxyestra-1,3,5(10)-trien-17-one
  • 3,16beta-dihydroxy-estra-1,3,5(10)-trien-17-one
  • (16beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one
  • (8R,9S,13S,14S,16S)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
  • (8R,9S,13S,14S,16S)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta(a)phenanthren-17-one
  • 16b-Hydroxyestrone
  • 3,16-dihydroxy-Estra-1,3,5(10)-trien-17-one
  • 3,16beta-Dihydroxyestra-1(10),2,4-trien-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

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

16beta-hydroxyestrone suppliers

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16beta-hydroxyestrone price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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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 metabolite
  • human xenobiotic metabolite
  • mammalian metabolite
  • metabolite
  • molecular messenger
  • sex hormone
  • xenobiotic metabolite

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 16beta-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 16beta-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 16beta-hydroxyestrone, based on the data on this page

What is 16beta-hydroxyestrone?

16beta-hydroxyestrone is a 3-hydroxy steroid that is estrone substituted by a beta-hydroxy group at position 16. It has a role as an estrogen and a human xenobiotic metabolite.

What is the CAS number of 16beta-hydroxyestrone?

The CAS registry number of 16beta-hydroxyestrone is 966-06-3.

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

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

What is 16beta-hydroxyestrone used for?

Known uses and roles of 16beta-hydroxyestrone include agonist, animal metabolite, estrogen, eukaryotic metabolite, hormone and 7 more.

Is 16beta-hydroxyestrone hazardous?

No GHS hazard classification for 16beta-hydroxyestrone is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of 16beta-hydroxyestrone?

16beta-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 16beta-hydroxyestrone?

Post a free request on CompoundList and suppliers of 16beta-hydroxyestrone will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 16beta-hydroxyestrone?

Suppliers quote 16beta-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 16beta-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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