Chemical identity

β-Cholestanol

CAS 80-97-7 · C27H48O

01Identity

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

Lazychem IDLC-31181
PubChem CID68017478
Nameβ-Cholestanol
CAS RN80-97-7
Molecular formulaC27H48O
Molecular weight388.67 g/mol
IUPAC name(3S,5S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChIKeyQYIXCDOBOSTCEI-DQXBPNIWSA-N

02Structure identifiers

2D structurePubChem CID 68017478
Two-dimensional chemical structure of β-Cholestanol, CAS 80-97-7
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 stereocentres1
Ring count4
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]3C2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChINot listed
Formula from structureC27H48O
Molecular weight from structure388.67 g/mol

03Stereochemistry

The published structure contains 8 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 512Before symmetry reduction

Published same-connectivity configurations

4 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 80-97-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 80-97-7 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

Cholestanol

View associated product family

Other names

  • Dihydrocholesterol
  • Cholestan-3beta-ol
  • Dihydrocholesterin
  • 5alpha-Cholestan-3beta-ol
  • 3beta-Hydroxy-5alpha-cholestane

Related records from the same parent family

No related records are linked by parent name.

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