GHS
GHS Classification Search
Vitamin D3
9,10-开环胆甾-5,7,10(19)-三烯-3beta-醇, Cyclohexanol, 3-[2-[(1R,3aR,7aS)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1S,3Z)-, Cholecalciferol, 9,10-Secocholesta-5,7,10(19)-trien-3beta-ol, (3S,5Z,13α,14β)-9,10-Secocholesta-5,7,10-trien-3-ol
CAS Number: 8050-67-7
IUPAC name: (1R,3Z)-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]-4-methylidenecyclohexan-1-ol
Molecular formula: C27H44O
Molecular weight: 384.638
InChI: InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24-,25-,26+,27-/m1/s1
InChIKey: QYSXJUFSXHHAJI-YHJXBONMSA-N
SMILES: -
EINECS: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C
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