1-Keto-vitamin D3

Product Specifications

CAS Number

86307-40-6

Hazard Statement

No Data Available

Smiles

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CC(=O)C3=C)\CCC[C@]12C

Molecular Formula

C27 H42 O2

Molecular Weight

398.621

InChI

InChI=1S/C27H42O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-25,28H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,27-/m1/s1

Additionnal Information

IUPAC name: (3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-2-methylidenecyclohexan-1-one