Chemical identity

3b,12b-Dihydroxy-5b-cholanoic acid

CAS 84848-09-9 · C24H40O4

01Identity

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

Lazychem IDLC-10601
PubChem CID5283832
Name3b,12b-Dihydroxy-5b-cholanoic acid
CAS RN84848-09-9
Molecular formulaC24H40O4
Molecular weight392.58 g/mol
IUPAC name(R)-4-((3S,5R,8R,9S,10S,12R,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
InChIKeyKXGVEGMKQFWNSR-BYGCHKRWSA-N

02Structure identifiers

2D structurePubChem CID 5283832
Two-dimensional chemical structure of 3b,12b-Dihydroxy-5b-cholanoic acid, CAS 84848-09-9
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 10 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres10
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[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C
InChINot listed
Formula from structureC24H40O4
Molecular weight from structure392.58 g/mol

03Stereochemistry

The published structure contains 10 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres10Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 1,024Before symmetry reduction

Published same-connectivity configurations

6 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 84848-09-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 84848-09-9 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

Cholic Acid

View API and impurity family

Other names

  • Cholic Acid Impurity 25
  • 3b,12b-Dihydroxy-5b-cholanoic acid
  • 84848-09-9
  • 3beta,12beta-Dihydroxy-5beta-cholanoic Acid
  • 3beta,12beta-Dihydroxy-5beta-cholan-24-oic Acid
  • (4R)-4-[(3S,5R,8R,9S,10S,12R,13R,14S,17R)-3,12-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]pentanoic acid
  • 3?,12?-Dihydroxy-5?-cholanoic Acid
  • Cholic Acid Impurity 17
  • 3b,12b-Dihydroxy-5b-cholanate
  • SCHEMBL23781732
  • 3b,12b-Dihydroxy-5b-cholanoate
  • CHEBI:175153

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