Identitet

β-Cholestanol

CAS 80-97-7 · C27H48O

01Identitet

Lazychem IDLC-31181
CAS RN80-97-7
PubChem CID68017478
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

02Struktur og stereokemi

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
Ring count4
Secondary amines0
Tertiary amines0
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
InChIIkke angivet

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.

04Status i Indien

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Navne og relationer

API og moderlægemiddel

Cholestanol

Urenheder og beslægtede forbindelser

Navne og relationer

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

Urenheder og beslægtede forbindelser

    06Kilder