Identiteet

25-Hydroxy Cholesterol

CAS 2140-46-7 · C27H46O2

01Identiteet

Lazychem IDLC-04351
CAS RN2140-46-7
PubChem CID65094
Molecular formulaC27H46O2
Molecular weight402.66 g/mol
IUPAC name(3S,8S,9S,10R,13R,14S,17R)-17-((R)-6-Hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChIKeyINBGSXNNRGWLJU-ZHHJOTBYSA-N

02Struktuur ja stereokeemia

2D structurePubChem CID 65094
Two-dimensional chemical structure of 25-Hydroxy Cholesterol, CAS 2140-46-7
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)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChIPole loetletud

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.

04Staatus Indias

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

05Nimed ja seosed

API ja lähteravim

Cholesterol

Lisandid ja seotud ühendid

Nimed ja seosed

  • 5-Cholestene-3beta, 25-diol
  • 25-Hydroxycholest-5-en-3-ol
  • (3beta, 14beta, 17alpha)-cholest-5-ene-3, 25-diol

Lisandid ja seotud ühendid

06Allikad