Identidad

22-alpha-Hydroxy Cholesterol

CAS 17954-98-2 · C27H46O2

01Identidad

Lazychem IDLC-04320
CAS RN17954-98-2
PubChem CID167685
Molecular formulaC27H46O2
Molecular weight402.66 g/mol
IUPAC name(3S,8S,9S,10R,13S,14S,17R)-17-((2S,3R)-3-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
InChIKeyRZPAXNJLEKLXNO-GFKLAVDKSA-N

02Estructura y estereoquímica

2D structurePubChem CID 167685
Two-dimensional chemical structure of 22-alpha-Hydroxy Cholesterol, CAS 17954-98-2
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 9 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres9
Ring count4
Secondary amines0
Tertiary amines0
SMILESC[C@@H]([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)[C@@H](CCC(C)C)O
InChINo indicado

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

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.

04Estado en India

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

05Nombres y relaciones

API y fármaco de origen

Cholesterol

Impurezas y compuestos relacionados

Nombres y relaciones

  • (3β,22R)-Cholest-5-ene-3,22-diol
  • (20S,22R)-Cholest-5-ene-3β,22-diol
  • (22R)-22-Hydroxycholesterol
  • (22R)-Cholest-5-ene-3β,22-diol
  • (22R)-Hydroxycholesterol
  • 22α-Hydroxycholesterol
  • Cholest-5-ene-3β,22(R)-diol
  • Narthesterol
  • cholest-5-en-3beta,22R-diol
  • (3beta,22R)-Cholest-5-ene-3,22-diol
  • (3S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
  • CHEBI:67237

Impurezas y compuestos relacionados

06Fuentes