Catalog Number:
AG00ABII
Chemical Name:
Alfacalcidol-D6
CAS Number:
1641940-94-4
Molecular Formula:
C27H38D6O2
Molecular Weight:
406.6740
MDL Number:
MFCD22417103
IUPAC Name:
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trideuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChI:
InChI=1S/C27H44O2/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/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1/i1D3,2D3
InChI Key:
OFHCOWSQAMBJIW-VLUFQIGVSA-N
SMILES:
O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CCCC(C([2H])([2H])[2H])C([2H])([2H])[2H])C)C)/C1
