Catalog Number:
AG00DDSR
Chemical Name:
VITAMIN D3
CAS Number:
511-28-4
Molecular Formula:
C28H46O
Molecular Weight:
398.6642
MDL Number:
MFCD18781880
IUPAC Name:
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
InChI:
InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1
InChI Key:
DIPPFEXMRDPFBK-JPWDPSJFSA-N
SMILES:
O[C@H]1CCC(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3C(CC[C@H](C(C)C)C)C)C)/C1
EC Number:
208-127-5
UNII:
KN41X73N6C
