Identita

4a-Hydroxycholesterol

CAS 34310-86-6 · C27H46O2

01Identita

Lazychem IDLC-10585
CAS RN34310-86-6
PubChem CID12955779
Molecular formulaC27H46O2
Molecular weight402.66 g/mol
IUPAC name(3S,4S,8S,9S,10R,13R,14S,17R)-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-3,4-diol
InChIKeyCZDKQKOAHAICSF-GFYXKKFXSA-N

02Struktura a stereochemie

2D structurePubChem CID 12955779
Two-dimensional chemical structure of 4a-Hydroxycholesterol, CAS 34310-86-6
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 9 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres9
Ring count4
Secondary amines0
Tertiary amines0
SMILESC[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@H]4O)O)C)C
InChINeuvedeno

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres9Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 512Before symmetry reduction

Published same-connectivity configurations

3 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.

04Stav v Indii

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

05Názvy a vztahy

API a mateřské léčivo

Cholesterol

Nečistoty a související sloučeniny

Názvy a vztahy

  • Cholesterol Impurity 14
  • 4a-Hydroxycholesterol
  • 34310-86-6
  • 4alpha-hydroxycholesterol
  • Cholesterol Impurity 47
  • 4I+/--Hydroxycholesterol
  • Cholest-5-ene-3b,4a-diol
  • orb3174027
  • SCHEMBL3350435
  • CHEMBL3087826
  • cholest-5-en-3beta,4alpha-diol
  • DTXSID701355017

Nečistoty a související sloučeniny

06Zdroje