Identiteta

Eldecalcitol Impurity 3

Ni navedeno · C30H50O5

01Identiteta

Lazychem ID	LC-39608
CAS RN	Ni navedeno
PubChem CID	58893148
Molecular formula	C30H50O5
Molecular weight	490.7 g/mol
IUPAC name	(1R,2R,3R,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol
InChIKey	FZEXGDDBXLBRTD-KREKAJOKSA-N

02Struktura in stereokemija

Two-dimensional chemical structure of Eldecalcitol Impurity 3 — 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 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	7
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H]([C@H]([C@@H](C3=C)O)OCCCO)O)C
InChI	Ni navedeno

03Stereochemistry

The published structure contains 7 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres7Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 128Before symmetry reduction

Published same-connectivity configurations

3 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.