Analyte Name

6-Deoxytyphasterol-d3

CAS Number

1449510-51-3

Molecular Formula

C28 D3 H47 O3

Molecular Weight

437.713

Accurate Mass

437.395

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)CC[C@]4(C)[C@H]3CC[C@]12C

InChI

InChI=1S/C28H50O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-26,29-31H,7-15H2,1-6H3/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26+,27-,28+/m0/s1/i1D3/t16?,17-,18-,19-,20-,21-,22+,23-,24-,25+,26+,27-,28+

IUPAC

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

Unlabelled CAS Number

164034-47-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat