Identité

Campestanol

CAS 474-60-2 · C28H50O

01Identité

Lazychem IDLC-100744
CAS RN474-60-2
PubChem CID119394
Molecular formulaC28H50O
Molecular weight402.7 g/mol
IUPAC name(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChIKeyARYTXMNEANMLMU-ATEDBJNTSA-N

02Structure et stéréochimie

2D structurePubChem CID 119394
Two-dimensional chemical structure of Campestanol, CAS 474-60-2
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 10 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres10
Ring count4
Secondary amines0
Tertiary amines0
SMILESC[C@H](CC[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChINon indiqué

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

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.

04Statut en Inde

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

05Noms et relations

API et médicament parent

Non indiqué

Noms et relations

  • Campestanol
  • 474-60-2
  • 5alpha-campestan-3beta-ol
  • 5alpha-Dihydrocampesterol
  • 5J08LF99N1
  • Ergostan-3-ol, (3beta,5alpha,24R)-
  • (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
  • DTXSID3040988
  • CHEBI:36799
  • RefChem:123131
  • DTXCID301436322
  • 24 alpha-methyl-5 alpha-cholestan-3 beta-ol

Impuretés et composés apparentés

    06Sources