Identità

Stigmastanol Impurity 3

Non indicato · C29H48O

01Identità

Lazychem ID	LC-33536
CAS RN	Non indicato
PubChem CID	160083086
Molecular formula	C29H48O
Molecular weight	412.7 g/mol
IUPAC name	(3S,10R,13R,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChIKey	OSELKOCHBMDKEJ-OEDNIQHTSA-N

02Struttura e stereochimica

Two-dimensional chemical structure of Stigmastanol Impurity 3 — 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 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	5
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	C/C=C(/CC[C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)\C(C)C
InChI	Non indicato

03Stereochemistry

The published structure contains 5 defined and 3 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned

Unassigned centres3Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 256Before 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.