Analyte Name

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

Molecular Formula

C25 D5 H39 O6 S

Molecular Weight

477.709

Accurate Mass

477.317

SMILES

[2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4C3[C@H](O)[C@H](CC)[C@@H]2C([2H])([2H])[C@]1([2H])OS(=O)(=O)O)[C@H](C)CCO

InChI

InChI=1S/C25H44O6S/c1-5-17-21-14-16(31-32(28,29)30)8-11-25(21,4)20-9-12-24(3)18(15(2)10-13-26)6-7-19(24)22(20)23(17)27/h15-23,26-27H,5-14H2,1-4H3,(H,28,29,30)/t15-,16-,17-,18-,19+,20+,21+,22?,23-,24-,25-/m1/s1/i8D2,14D2,16D

IUPAC

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

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat