Chemical identity

Cholesterol 5β,6β-Epoxide/ 5β,6β Epoxy Cholestanol

CAS 4025-59-6 · C27H46O2

01Identity

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

Lazychem IDLC-10575
PubChem CID108109
NameCholesterol 5β,6β-Epoxide/ 5β,6β Epoxy Cholestanol
CAS RN4025-59-6
Molecular formulaC27H46O2
Molecular weight402.7 g/mol
IUPAC name(3S,4aS,5aR,6aS,6bS,9R,9aR,11aS,11bR)-9a,11b-dimethyl-9-((R)-6-methylheptan-2-yl)hexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol
InChIKeyPRYIJAGAEJZDBO-DTLXENBRSA-N

02Structure identifiers

2D structurePubChem CID 108109
Two-dimensional chemical structure of Cholesterol 5β,6β-Epoxide/ 5β,6β Epoxy Cholestanol, CAS 4025-59-6
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aliphatic carbon, has 10 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres10
Unassigned stereocentres0
Ring count5
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]4[C@]5([C@@]3(CC[C@@H](C5)O)C)O4)C
InChINot listed
Formula from structureC27H46O2
Molecular weight from structure402.7 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

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 4025-59-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 4025-59-6 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 5β,6β-Epoxide
  • 5β, 6β Epoxy Cholestanol
  • Cholesterol beta-epoxide
  • (3-beta, 5-beta, 6-beta)-5, 6-Epoxycholestan-3-ol
  • (1S, 2R, 5S, 7S, 9R, 11S, 12S, 15R, 16R)-2, 16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02, 7.07, 9.012, 16]octadecan-5-ol
  • Cholestan-5beta, 6beta-epoxy-3beta-ol

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