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Steroids and sterols

Methyl allochenodeoxycholate

Also known as 3alpha,7alpha-Dihydroxy-5alpha-cholan-24-oic acid Methyl ester, Methyl 3,7-dihydroxycholan-24-oate #, methyl 3a,7a-dihydroxy-5a-cholanate

CAS 14772-98-6Formula C25H42O4Molar mass 406.61 g/mol
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Methyl allochenodeoxycholate chemical structure, C25H42O4, CAS 14772-98-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
14772-98-6
Formula
C25H42O4
Molar mass
406.61 g/mol
HS code
291819
Category
Steroids and sterols

What is Methyl allochenodeoxycholate?

Plain description, key identifiers and synonyms

Methyl allochenodeoxycholate is a chemical substance with the molecular formula C25H42O4 and a molar mass of 406.61 g/mol. Its CAS registry number is 14772-98-6. The IUPAC name is methyl (4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
CAS number
14772-98-6
Molecular formula
C25H42O4
InChIKey
GRQROVWZGGDYSW-WKMGUUQUSA-N
InChI
InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20+,21-,23+,24+,25-/m1/s1
Canonical SMILES
COC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Isomeric SMILES
C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Synonyms

  • 3alpha,7alpha-Dihydroxy-5alpha-cholan-24-oic acid Methyl ester
  • Methyl 3,7-dihydroxycholan-24-oate #
  • methyl 3a,7a-dihydroxy-5a-cholanate
  • 5alpha-Cholan-24-oic acid, 3alpha,7alpha-dihydroxy-, methyl ester
  • Methyl-3alpha,7alpha-dihydroxy-5alpha-cholanoate
  • Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5alpha,7alpha)-

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
406.61 g/molcalc.
Exact mass
406.3083 Dacalc.
LogP (octanol/water)
4.57calc.
Topological polar surface area
66.76 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
10calc.
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, C1CCC2C(C1)CCC1C3CCCC3CCC21

C1CCC2C(C1)CCC1C3CCCC3CCC21

4 rings, 17 atoms.

1,694 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.

Methyl allochenodeoxycholate suppliers

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Methyl allochenodeoxycholate 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 Methyl allochenodeoxycholate is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, their…

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Methyl allochenodeoxycholate, based on the data on this page

What is Methyl allochenodeoxycholate?

Methyl allochenodeoxycholate is a chemical substance with the molecular formula C25H42O4 and a molar mass of 406.61 g/mol. Its CAS registry number is 14772-98-6.

What is the CAS number of Methyl allochenodeoxycholate?

The CAS registry number of Methyl allochenodeoxycholate is 14772-98-6.

What is the molecular formula and weight of Methyl allochenodeoxycholate?

The molecular formula of Methyl allochenodeoxycholate is C25H42O4 and its molar mass is 406.61 g/mol.

Is Methyl allochenodeoxycholate hazardous?

No GHS hazard classification for Methyl allochenodeoxycholate 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 Methyl allochenodeoxycholate?

Methyl allochenodeoxycholate is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Methyl allochenodeoxycholate?

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What is the price of Methyl allochenodeoxycholate?

Suppliers quote Methyl allochenodeoxycholate 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 Methyl allochenodeoxycholate

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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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