(5E)-1,3-Bis-O-(tert-Butyldimethylsilyl)-24-oxo-calcipotriene-d4

Analyte Name

(5E)-1,3-Bis-O-(tert-Butyldimethylsilyl)-24-oxo-calcipotriene-d4

Molecular Formula

C39 D4 H62 O3 Si2

Molecular Weight

643.135

Accurate Mass

642.48

SMILES

[2H]C1([2H])C(C(=O)\C=C/C(C)[C@H]2CC[C@H]3\C(=C\C=C\4/C[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C4=C)O[Si](C)(C)C(C)(C)C)\CCC[C@@]23C)C1([2H])[2H]

InChI

InChI=1S/C39H66O3Si2/c1-27(16-23-35(40)30-18-19-30)33-21-22-34-29(15-14-24-39(33,34)9)17-20-31-25-32(41-43(10,11)37(3,4)5)26-36(28(31)2)42-44(12,13)38(6,7)8/h16-17,20,23,27,30,32-34,36H,2,14-15,18-19,21-22,24-26H2,1,3-13H3/b23-16-,29-17+,31-20+/t27?,32-,33-,34+,36-,39+/m1/s1/i18D2,19D2

IUPAC

(Z)-4-[(1R,3aS,4E,7aS)-4-[(2E)-2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-(2,2,3,3-tetradeuteriocyclopropyl)pent-2-en-1-one

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat