CAS 1262843-46-8 25-Hydroxy Vitamin D2-d6 - Analytical Products / Alfa Chemistry

CAT	APS1262843468
CAS	1262843-46-8
Structure
Synonyms	Cyclohexanol, 4-methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,2E,4S)-5-hydroxy-1,4-dimethyl-5-(methyl-d3)-2-hexen-1-yl-6,6,6-d3]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1S,3Z)-, d6-25-Hydroxyvitamin D2, 26,26,26,27,27,27-Hexadeutero-25-hydroxyvitamin D2, 25-Hydroxyvitamin D2-(26,26,26,27,27,27-d6)
IUPAC Name	(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R,5S)-7,7,7-trideuterio-6-hydroxy-5-methyl-6-(trideuteriomethyl)hept-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Molecular Weight	418.68
Molecular Formula	C282H6H38O2
Canonical SMILES	[2H]C([2H])([2H])C(O)([C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C)C([2H])([2H])[2H]
InChI	InChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9+,22-12+,23-13-/t20-,21+,24+,25-,26+,28-/m1/s1/i4D3,5D3

Accurate Mass	418.3718
Format	Neat
Subcategory	Vitamins and derivatives, Chiral molecules, Vitamins, Stable isotope labelled compounds
Type	Stable Isotope Labelled