Identidade

Calcifediol Impurity 1

Não indicado · C27H44O2

01Identidade

Lazychem ID	LC-35000
CAS RN	Não indicado
PubChem CID	134990442
Molecular formula	C27H44O2
Molecular weight	400.6 g/mol
IUPAC name	(1S)-3-[(Z)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol
InChIKey	UVVWRMXOHIVZBN-ZIWYXPTCSA-N

02Estrutura e estereoquímica

Two-dimensional chemical structure of Calcifediol Impurity 1 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aliphatic carbon, has 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	5
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	CC1=C(C[C@H](CC1)O)/C=C\C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C
InChI	Não indicado

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 32Before 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.