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Steroids and sterols

Marthasterone

Also known as 3-beta,6 alpha-dihydroxy-5 alpha-cholesta-9(11),24-dien-23-one, (3 beta,5 alpha,6 alpha)-3,6-dihydroxy-cholesta-9(11),24-dien-23-one, 3beta,6alpha-dihydroxy-5alpha-cholesta-9(11),24-dien-23-one

CAS 36564-29-1Formula C27H42O3Molar mass 414.63 g/mol
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Marthasterone chemical structure, C27H42O3, CAS 36564-29-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
36564-29-1
Formula
C27H42O3
Molar mass
414.63 g/mol
HS code
291440
Category
Steroids and sterols

What is Marthasterone?

Plain description, key identifiers and synonyms

Marthasterone is a chemical substance with the molecular formula C27H42O3 and a molar mass of 414.63 g/mol. Its CAS registry number is 36564-29-1. The IUPAC name is (6R)-6-[(3S,5S,6S,8S,10S,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-en-4-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6R)-6-[(3S,5S,6S,8S,10S,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-en-4-one
CAS number
36564-29-1 CAS number cross-checked
Molecular formula
C27H42O3
InChIKey
JMTGPYQQNHOZAL-GNGILNPGSA-N
InChI
InChI=1S/C27H42O3/c1-16(2)12-19(29)13-17(3)21-6-7-22-20-15-25(30)24-14-18(28)8-10-27(24,5)23(20)9-11-26(21,22)4/h9,12,17-18,20-22,24-25,28,30H,6-8,10-11,13-15H2,1-5H3/t17-,18+,20+,21-,22+,24-,25+,26-,27-/m1/s1
Canonical SMILES
CC(C)=CC(=O)CC(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3=CCC12C
Isomeric SMILES
C[C@H](CC(=O)C=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC=C3[C@H]2C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C

Synonyms

  • 3-beta,6 alpha-dihydroxy-5 alpha-cholesta-9(11),24-dien-23-one
  • (3 beta,5 alpha,6 alpha)-3,6-dihydroxy-cholesta-9(11),24-dien-23-one
  • 3beta,6alpha-dihydroxy-5alpha-cholesta-9(11),24-dien-23-one
  • 3-beta,6alpha-Dihydroxy-5alpha-cholesta-9(11),24-dien-23-one
  • 3,6-Dihydroxycholesta-9(11),24-dien-23-one
  • (3beta,5alpha,6alpha)-3,6-Dihydroxy-cholesta-9(11),24-dien-23-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
414.63 g/molcalc.
Exact mass
414.3134 Dacalc.
LogP (octanol/water)
5.46calc.
Topological polar surface area
57.53 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
30calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.82calc.
Formal charge
0calc.
Stereocentres
9calc.
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, C1=C2C3CCCCC3CCC2C2CCCC2C1

C1=C2C3CCCCC3CCC2C2CCCC2C1

4 rings, 17 atoms.

45 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.

Marthasterone suppliers

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Marthasterone 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Marthasterone 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 Marthasterone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Marthasterone?

Marthasterone is a chemical substance with the molecular formula C27H42O3 and a molar mass of 414.63 g/mol. Its CAS registry number is 36564-29-1.

What is the CAS number of Marthasterone?

The CAS registry number of Marthasterone is 36564-29-1.

What is the molecular formula and weight of Marthasterone?

The molecular formula of Marthasterone is C27H42O3 and its molar mass is 414.63 g/mol.

Is Marthasterone hazardous?

No GHS hazard classification for Marthasterone 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 Marthasterone?

Marthasterone 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 Marthasterone?

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What is the price of Marthasterone?

Suppliers quote Marthasterone 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 Marthasterone

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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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