Analyte Name

6-Deoxo-24-epicastasterone-d3

CAS Number

1402912-18-8

Molecular Formula

C28 D3 H47 O4

Molecular Weight

453.713

Accurate Mass

453.39

SMILES

[2H]C([2H])([2H])C(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C

InChI

InChI=1S/C28H50O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15-26,29-32H,7-14H2,1-6H3/t16-,17+,18+,19+,20-,21+,22+,23+,24-,25-,26-,27-,28+/m1/s1/i1D3/t15?,16-,17+,18+,19+,20-,21+,22+,23+,24-,25-,26-,27-,28+

IUPAC

(2R,3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-[(2S,3R,4R,5R)-7,7,7-trideuterio-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol

Unlabelled CAS Number

169869-41-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat