Identidade

Stigmasterol Impurity 9

CAS 6869-99-4 · C29H50O

01Identidade

Lazychem IDLC-28446
CAS RN6869-99-4
PubChem CID3080632
Molecular formulaC29H50O
Molecular weight414.71 g/mol
IUPAC name(3S,9R,10S,13R,14R,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChIKeyYSKVBPGQYRAUQO-NEWNUQLJSA-N

02Estrutura e estereoquímica

2D structurePubChem CID 3080632
Two-dimensional chemical structure of Stigmasterol Impurity 9, CAS 6869-99-4
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
SMILESCC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CCC4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
InChINão indicado

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

2 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.

04Estado na Índia

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

05Nomes e relações

API e fármaco de origem

Stigmasterol

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    06Fontes