Analyte Name

Stigmastadienone-d5

Molecular Formula

C29H41D5O

Molecular Weight

415.71

Accurate Mass

415.39

SMILES

CC[C@@H](C(C)C)/C=C/[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC([2H])([2H])C4=C([2H])C(C([2H])([2H])C[C@]4(C)[C@@]3([H])CC[C@]12C)=O

InChI

InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1/i10D2,14D2,18D

IUPAC

(8S,9S,10R,13R,14S,17R)-17-((2R,5S,E)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one-2,2,4,6,6-d5

Unlabelled CAS Number

20817-72-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat