Secalciferol-d6

Product Specifications

CAS Number

1440957-55-0

Synonyms

(3R,6R)-2-(Methyl-d3)-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-2,3-heptanediol-1,1,1-d3; (24R)-24,25-Dihydroxyvitamin D3-d6; (24R)-Hydroxycalcidiol-d6; (24R)-24,25-Dihydroxycholecalciferol-D6 (25,25-di(methyl-D3)); 24R,25-Dihydroxyvitamin D3-d6; Secalciferol-d6

Hazard Statement

Toxic if swallowed; UN number: UN2811; Packing Group: II

Smiles

[2H]C([2H])([2H])C(O)([C@H](O)CC[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]

Molecular Formula

C27 2H6 H38 O3

Molecular Weight

422.67

InChI

InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,25-,27-/m1/s1/i3D3,4D3

Additionnal Information

IUPAC name: (3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1,1,1-trideuterio-2-(trideuteriomethyl)heptane-2,3-diol