S-((6S,7S,8R,9S,10R,13S,14S,17R)-6-Hydroxy-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl) ethanethioate-d3

Analyte Name

S-((6S,7S,8R,9S,10R,13S,14S,17R)-6-Hydroxy-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl) ethanethioate-d3

Molecular Formula

C24 H29 D3 O5 S

Molecular Weight

435.6

Accurate Mass

435.22

SMILES

C[C@@]12[C@]([C@]3([H])[C@H](SC(C([2H])([2H])[2H])=O)[C@@H](O)C4=CC(CC[C@]4(C)[C@@]3([H])CC1)=O)(CC[C@]25OC(CC5)=O)[H]

InChI

InChI=1S/C24H32O5S/c1-13(25)30-21-19-15(22(2)8-4-14(26)12-17(22)20(21)28)5-9-23(3)16(19)6-10-24(23)11-7-18(27)29-24/h12,15-16,19-21,28H,4-11H2,1-3H3/t15-,16-,19+,20-,21-,22+,23-,24+/m0/s1/i1D3

IUPAC

S-((6S,7S,8R,9S,10R,13S,14S,17R)-6-hydroxy-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl) ethanethioate-d3

Unlabelled CAS Number

880106-10-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat