Chemical identity

Pregn-5-ene-20-carboxylic acid, 3-(acetyloxy)-, (3beta,20S)-(9CI)

CAS 1474-14-2 · C24H36O4

01Identity

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

Lazychem IDLC-10584
PubChem CID99460
NamePregn-5-ene-20-carboxylic acid, 3-(acetyloxy)-, (3beta,20S)-(9CI)
CAS RN1474-14-2
Molecular formulaC24H36O4
Molecular weight388.55 g/mol
IUPAC name(S)-2-((3S,8S,9S,10R,13S,14S,17R)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid
InChIKeyWRMRAQBPFAXGNJ-VYIMKSKESA-N

02Structure identifiers

2D structurePubChem CID 99460
Two-dimensional chemical structure of Pregn-5-ene-20-carboxylic acid, 3-(acetyloxy)-, (3beta,20S)-(9CI), CAS 1474-14-2
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 8 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres8
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)C(=O)O
InChINot listed
Formula from structureC24H36O4
Molecular weight from structure388.55 g/mol

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 256Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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 1474-14-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1474-14-2 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

Cholesterol

View API and impurity family

Other names

  • Cholesterol Impurity 12
  • (2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
  • 1474-14-2
  • Pregn-5-ene-20-carboxylic acid, 3-(acetyloxy)-, (3beta,20S)-(9CI)
  • NSC 224321
  • 23,24-Bisnor-3beta-acetoxy-5beta-cholen-22-oic acid
  • SCHEMBL10705970
  • (20S)-3beta-acetoxy-5-pregnene-20-carboxylic acid
  • 22,23-Bisnor-5-cholenic acid, 3.beta.-hydroxy, acetate(ester)
  • Pregn-5-ene-20-carboxylic acid, 3-(acetyloxy)-, (3beta,20S)-

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