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Impurities and reference standards

21-Deoxycortisol

Also known as 21-Desoxycortisol, 11beta,17alpha-Dihydroxypregn-4-ene-3,20-dione, 11beta,17alpha-Dihydroxyprogesterone

CAS 641-77-0Formula C21H30O4Molar mass 346.47 g/molEC 104-181-8
GHS signal word: Warning. Pictograms: Serious health hazard 5 suppliers listed
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21-Deoxycortisol chemical structure, C21H30O4, CAS 641-77-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
641-77-0
Formula
C21H30O4
Molar mass
346.47 g/mol
EC number
104-181-8
HS code
291440
Category
Impurities and reference standards

What is 21-Deoxycortisol?

Plain description, key identifiers and synonyms

21-deoxycortisol is a deoxycortisol that is 17-pregn-4-ene-3,20-dione substituted by a beta-hydroxy group at position 11 and an alpha-hydroxy group at position 17. It is a marker of virilizing adrenal hyperplasia caused by 21-hydroxylase deficiency. It has a role as a mouse metabolite and a human blood serum metabolite. It is a 17alpha-hydroxy-C21-steroid, a tertiary alpha-hydroxy ketone, a deoxycortisol and an 11beta-hydroxy steroid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CAS number
641-77-0
EC numbers
104-181-8, 211-375-7
Molecular formula
C21H30O4
UNII
XZ1JYU14MZ
InChIKey
LCZBQMKVFQNSJR-UJPCIWJBSA-N
InChI
InChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1
Canonical SMILES
CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C
Isomeric SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O

Synonyms

  • 21-Desoxycortisol
  • 11beta,17alpha-Dihydroxypregn-4-ene-3,20-dione
  • 11beta,17alpha-Dihydroxyprogesterone
  • 11beta,17-dihydroxypregn-4-ene-3,20-dione
  • 4-Pregnene-11beta,17alpha-diol-3,20-dione
  • 11 beta,17 alpha-dihydroxypregn-4-ene-3,20-dione
  • 21-Deoxy Cortisol
  • (8S,9S,10R,11S,13S,14S,17R)-17-Acetyl-11,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
  • (8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
  • 11-beta,17-alpha-Dihydroxypregn-4-ene-3,20-dione
  • 21-Dehydrohydrocortisone
  • 11beta,17-Dihydroxypregn-4-ene-3,20-dione (Oxenol)
  • Hydrocortisone EP Impurity L
  • 11beta,17-dihydroxyprogesterone
  • Pregn-4-ene-3,20-dione, 11,17-dihydroxy-, (11beta)-
  • 4-Pregnene-11b,17a-diol-3,20-dione
  • 11b,17a-Dihydroxy-4-pregnene-3,20-dione
  • Hydrocortisone impurity l
  • pregn-4-ene-11beta,17alpha-diol-3,20-dione
  • Pregn-4-ene-11beta-17alpha-diol-3-20-dione
  • 21-Deoxycortisol Solution in Methanol, 100ug/mL
  • 2A30EDDE-FAB3-4B14-BB2C-5ADD955FD9AB
  • 21-Deoxycortisol Solution in Acetonitrile, 100ug/mL
  • Hydrocortisone EP Impurity L, Hydrocortisone Acetate EP Impurity B
  • Hydrocortisone EP Impurity L, <br>Hydrocortisone Acetate EP Impurity B, <br>21-Deoxycortisol
Show all 26 synonyms
  • (1R,3aS,3bS,9aR,9bS,10S,11aS)-1-acetyl-1,10-dihydroxy-9a,11a-dimethyl-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-7H-cyclopenta[a]phenanthren-7-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
346.47 g/molcalc.
Exact mass
346.2144 Dacalc.
LogP (octanol/water)
2.81calc.
Topological polar surface area
74.6 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
25calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.81calc.
Formal charge
0calc.
Stereocentres
7calc.
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=C1C=C2CCC3C4CCCC4CCC3C2CC1

O=C1C=C2CCC3C4CCCC4CCC3C2CC1

4 rings, 18 atoms.

1,419 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

  • H361Suspected of damaging fertility or the unborn child.
  • H373May cause damage to organs through prolonged or repeated exposure.
  • H412Harmful to aquatic life with long lasting effects.
Precautionary statements (8)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • 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

21-Deoxycortisol suppliers

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Where suppliers are based

5 suppliers in 4 countries

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21-Deoxycortisol 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

  • animal metabolite
  • eukaryotic metabolite
  • human blood serum metabolite
  • human metabolite
  • mammalian metabolite
  • metabolite
  • mouse 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 21-Deoxycortisol is traded under.

HS 2914.40Indicative HS code

Ketone-alcohols and ketone-aldehydes

World exports in 2024
$199M
+2.5% vs 2023, imports $247M
2019 to 2024
Top exporters
  1. China29.5%
  2. Germany14.4%
  3. Netherlands12.7%
Top importers
  1. United States37.2%
  2. Netherlands8.5%
  3. Germany6.4%
Reported customs values in USD, not prices.Full trade data

The HS code shown for 21-Deoxycortisol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 21-Deoxycortisol, based on the data on this page

What is 21-Deoxycortisol?

21-deoxycortisol is a deoxycortisol that is 17-pregn-4-ene-3,20-dione substituted by a beta-hydroxy group at position 11 and an alpha-hydroxy group at position 17. It is a marker of virilizing adrenal hyperplasia caused by 21-hydroxylase deficiency. It has a role as a mouse metabolite and a human blood serum metabolite.

What is the CAS number of 21-Deoxycortisol?

The CAS registry number of 21-Deoxycortisol is 641-77-0.

What is the molecular formula and weight of 21-Deoxycortisol?

The molecular formula of 21-Deoxycortisol is C21H30O4 and its molar mass is 346.47 g/mol.

What is 21-Deoxycortisol used for?

Known uses and roles of 21-Deoxycortisol include animal metabolite, eukaryotic metabolite, human blood serum metabolite, human metabolite, mammalian metabolite and 2 more.

Is 21-Deoxycortisol hazardous?

21-Deoxycortisol carries the GHS signal word "Warning". Main hazards: suspected of damaging fertility or the unborn child, may cause damage to organs through prolonged or repeated exposure, harmful to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 21-Deoxycortisol?

21-Deoxycortisol is usually classified under HS code 291440 (Ketone-alcohols and ketone-aldehydes). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 21-Deoxycortisol?

CompoundList lists 5 suppliers of 21-Deoxycortisol in China, Czech Republic, India and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy 21-Deoxycortisol in India?

1 supplier in India list 21-Deoxycortisol on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of 21-Deoxycortisol?

Suppliers quote 21-Deoxycortisol 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 21-Deoxycortisol

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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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