Analyte Name

(3R)-3-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-6-ethyl-3,7-dihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]butanoic acid

Molecular Formula

C25 D5 H37 O4

Molecular Weight

411.629

Accurate Mass

411.34

SMILES

[2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@H](O)[C@H](CC)[C@@H]2C([2H])([2H])[C@]1([2H])O)[C@H](C)CC(=O)O

InChI

InChI=1S/C25H42O4/c1-5-16-20-13-15(26)8-10-25(20,4)19-9-11-24(3)17(14(2)12-21(27)28)6-7-18(24)22(19)23(16)29/h14-20,22-23,26,29H,5-13H2,1-4H3,(H,27,28)/t14-,15-,16-,17-,18+,19+,20+,22+,23-,24-,25-/m1/s1/i8D2,13D2,15D

IUPAC

(3R)-3-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-6-ethyl-3,7-dihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]butanoic acid

Unlabelled CAS Number

1612191-83-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled

Product Format

Neat