Analyte Name

Brassicasterol-(2,2',3,4,4',6-D6)

Molecular Formula

C28 D6 H40 O

Molecular Weight

404.701

Accurate Mass

404.393

SMILES

[2H]C1=C2C([2H])([2H])[C@@]([2H])(O)C([2H])([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3C1)[C@H](C)\C=C\[C@H](C)C(C)C

InChI

InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1/i9D,13D2,17D2,22D

IUPAC

(3S,8S,9S,10R,13R,14S,17R)-2,2,3,4,4,6-hexadeuterio-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat