Chemical identity

3α,12α-Dihydroxy-5β-chol-9(11)-enic Acid

CAS 24637-46-5 · C24H38O4

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-02782
PubChem CID5283983
Name3α,12α-Dihydroxy-5β-chol-9(11)-enic Acid
CAS RN24637-46-5
Molecular formulaC24H38O4
Molecular weight390.56 g/mol
IUPAC name(R)-4-((3R,5R,8S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
InChIKeyXAGTZUQUSSNQAI-TYQXEKSRSA-N

02Structure identifiers

2D structurePubChem CID 5283983
Two-dimensional chemical structure of 3α,12α-Dihydroxy-5β-chol-9(11)-enic Acid, CAS 24637-46-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 9 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres9
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C=C3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChINot listed
Formula from structureC24H38O4
Molecular weight from structure390.56 g/mol

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres9Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 512Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 24637-46-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 24637-46-5 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Ursodeoxycholic Acid

View API and impurity family

Other names

  • 3alpha, 12alpha-Dihydroxy-5beta-chol-9(11)-en-24-oic Acid
  • (4R)-4-[(3R, 5R, 8S, 10S, 12S, 13R, 14S, 17R)-3, 12-dihydroxy-10, 13-dimethyl-2, 3, 4, 5, 6, 7, 8, 12, 14, 15, 16, 17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
  • (3alpha, 5beta, 7alpha, 24E)-3, 7-Dihydroxy-cholest-24-en-26-oic Acid
  • 24637-46-5
  • (R)-4-((3R,5R,8S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
  • 3alpha,12alpha-Dihydroxy-5beta-chol-9(11)-enic Acid
  • 3a,12a-Dihydroxy-5b-chol-9(11)-enic Acid
  • (3a,5b,7a,24E)-3,7-Dihydroxy-cholest-24-en-26-oic Acid
  • Chol-9(11)-en-24-oic acid, 3,12-dihydroxy-, (3a,5ss,12a)- (9CI)
  • 5ss-Chol-9(11)-enic acid, 3a,12a-dihydroxy- (6CI)
  • 3a,12a-Dihydroxy-5ss-chol-9(11)-enic acid
  • orb3181147

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources