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Steroids and sterols

Coprostanone

Also known as 5beta-Cholestan-3-one, Coprostan-3-one, 5beta-cholestanone

CAS 601-53-6Formula C27H46OMolar mass 386.66 g/molEC 210-003-0
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Coprostanone chemical structure, C27H46O, CAS 601-53-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
601-53-6
Formula
C27H46O
Molar mass
386.66 g/mol
EC number
210-003-0
HS code
291429
Category
Steroids and sterols

What is Coprostanone?

Plain description, key identifiers and synonyms

5beta-cholestan-3-one is a 3-oxo-5beta-steroid that is 5beta-cholestane substituted by an oxo group at position 3. It has a role as a human metabolite. It is a 3-oxo-5beta-steroid and a 3-oxocholestane. It derives from a hydride of a 5beta-cholestane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CAS number
601-53-6 CAS number cross-checked
EC numbers
210-003-0, 239-682-1
Molecular formula
C27H46O
UNII
H6B6EPA52O
InChIKey
PESKGJQREUXSRR-JDIFZLMISA-N
InChI
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1
Canonical SMILES
CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C
Isomeric SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C

Synonyms

  • 5beta-Cholestan-3-one
  • Coprostan-3-one
  • 5beta-cholestanone
  • Cholestan-3-one, (5beta)-
  • (5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
  • (5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-((2R)-6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-3-one
  • 5B-Cholestan-3-one
  • 5-b-Cholestan-3-one
  • 3-Keto-5beta-cholestane
  • 5beta Cholestanone
  • beta-cholestan-3-one
  • 3-Coprostanone
  • (5b)-Coprostan-3-one
  • 5 beta-Cholestan-3-one
  • beta-cholestanone
  • 5beta-coprostan-3-one
  • (5beta,17.beta.)-17-octylandrostan-3-one
  • 5beta-Cholestan-3-one, 5beta-cholestan-3-one, Coprostan-3-one
  • (5R,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-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
386.66 g/molcalc.
Exact mass
386.3549 Dacalc.
LogP (octanol/water)
7.68calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
5calc.
Heavy atoms
28calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
8calc.
Lipinski rule of five
Passes (1 violation)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=C1CCC2C(CCC3C4CCCC4CCC23)C1

O=C1CCC2C(CCC3C4CCCC4CCC23)C1

4 rings, 18 atoms.

338 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.

Coprostanone suppliers

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Coprostanone price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • animal metabolite
  • eukaryotic metabolite
  • human metabolite
  • mammalian metabolite
  • 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 Coprostanone is traded under.

HS 2914.29Indicative HS code

Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other

World exports in 2024
$1B
+6.6% vs 2023, imports $980M
2019 to 2024
Top exporters
  1. China32.5%
  2. India * partner reported12.9%
  3. Germany12.3%
Top importers
  1. United States15.7%
  2. Japan8.7%
  3. Germany8.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Coprostanone, based on the data on this page

What is Coprostanone?

5beta-cholestan-3-one is a 3-oxo-5beta-steroid that is 5beta-cholestane substituted by an oxo group at position 3. It has a role as a human metabolite. It is a 3-oxo-5beta-steroid and a 3-oxocholestane. It derives from a hydride of a 5beta-cholestane.

What is the CAS number of Coprostanone?

The CAS registry number of Coprostanone is 601-53-6.

What is the molecular formula and weight of Coprostanone?

The molecular formula of Coprostanone is C27H46O and its molar mass is 386.66 g/mol.

What is Coprostanone used for?

Known uses and roles of Coprostanone include animal metabolite, eukaryotic metabolite, human metabolite, mammalian metabolite and metabolite.

Is Coprostanone hazardous?

No GHS hazard classification for Coprostanone 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 Coprostanone?

Coprostanone is usually classified under HS code 291429 (Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Coprostanone?

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

What is the price of Coprostanone?

Suppliers quote Coprostanone 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

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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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