Identitet

Stigmasterol Impurity 4

CAS 7212-91-1 · C29H48O

01Identitet

Lazychem IDLC-28443
CAS RN7212-91-1
PubChem CID12795737
Molecular formulaC29H48O
Molecular weight412.69 g/mol
IUPAC name(3S,5S,9R,10S,13R,14R,17R)-17-((R,E)-5-isopropylhept-5-en-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
InChIKeyMCWVPSBQQXUCTB-YMXWHZCSSA-N

02Struktur og stereokemi

2D structurePubChem CID 12795737
Two-dimensional chemical structure of Stigmasterol Impurity 4, CAS 7212-91-1
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=C(\CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)/C(C)C
InChIIkke angivet

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.

04Status i Indien

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

05Navne og relationer

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