Identiteit

7β-Hydroxycholesterol

CAS 566-27-8 · C27H46O2

01Identiteit

Lazychem IDLC-03961
CAS RN566-27-8
PubChem CID71748933
Molecular formulaC27H46O2
Molecular weight402.66 g/mol
IUPAC name(3S,7R,8S,9S,10R,13R,14S)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
InChIKeyOYXZMSRRJOYLLO-LIKRZGAKSA-N

02Structuur en stereochemie

2D structurePubChem CID 71748933
Two-dimensional chemical structure of 7β-Hydroxycholesterol, CAS 566-27-8
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)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C
InChINiet vermeld

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 in India

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

05Namen en relaties

API en moedergeneesmiddel

Cholesterol

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Namen en relaties

  • (3beta, 7beta)-Cholest-5-ene-3, 7-diol
  • 5-cholestene-3beta, 7beta-diol

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06Bronnen