Identita

Stigmasterol Impurity 3

CAS 28949-66-8 · C29H48O

01Identita

Lazychem IDLC-28442
CAS RN28949-66-8
PubChem CID5283643
Molecular formulaC29H48O
Molecular weight412.69 g/mol
IUPAC name(3S,8S,9S,10R,13R,14S,17R)-17-((R)-5-ethyl-6-methylhept-5-en-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
InChIKeyYYLFLRIUDMIWTD-VEVYEIKRSA-N

02Struktura a stereochemie

2D structurePubChem CID 5283643
Two-dimensional chemical structure of Stigmasterol Impurity 3, CAS 28949-66-8
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
SMILESCCC(=C(C)C)CC[C@@H](C)[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
InChINeuvedeno

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.

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

Stigmasterol

Nečistoty a související sloučeniny

Názvy a vztahy

    Nečistoty a související sloučeniny

    06Zdroje