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1,25-Dihydroxyvitamin D2-[d3]

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General Information
Catalog: BLP-001719
CAS: 1261254-46-9
Molecular Formula: C28H41D3O3
Molecular Weight: 431.66

Chemical Structure

IUPAC Name	(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexane-1,3-diol
Related CAS	60133-18-8 (unlabelled)
Isomeric SMILES	[2H]C(=C\1[C@H](C[C@@H](C/C1=C(\[2H])/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C)O)O)[2H]
Canonical SMILES	CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
InChI	InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1/i3D2,12D
InChI Key	ZGLHBRQAEXKACO-NZKOVVDYSA-N
Boiling Point	577.7±50.0 °C at 760 mmHg
Purity	> 98%
Density	1.1±0.1 g/cm3