Analyte Name

17-(3-Hydroxy-1-propynyl-13C3)-6beta,7beta:15beta,16beta-dimethyleneandrostane-3beta,5beta,17beta-triol

Molecular Formula

C21¹³C3H34O4

Molecular Weight

389.5

Accurate Mass

389.26

SMILES

O[C@H]1CC[C@@]2(C)[C@@]([C@H](C3)[C@H]3[C@]4([H])[C@]2([H])CC[C@@]5(C)[C@@]4([H])[C@H]6[C@H](C6)[C@]5([13C]#[13C][13CH2]O)O)(O)C1

InChI

InChI=1S/C24H34O4/c1-21-7-4-13(26)12-24(21,28)17-10-14(17)19-16(21)5-8-22(2)20(19)15-11-18(15)23(22,27)6-3-9-25/h13-20,25-28H,4-5,7-12H2,1-2H3/t13-,14-,15+,16-,17+,18-,19+,20-,21+,22-,23-,24+/m0/s1/i3+1,6+1,9+1

IUPAC

(2S,4aR,4bS,6aS,7S,7aS,8aS,8bS,8cR,8dR,9aR,9bR)-7-(3-hydroxyprop-1-yn-1-yl-1,2,3-13C3)-4a,6a-dimethyloctadecahydro-9bH-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-2,7,9b-triol

Unlabelled CAS Number

82543-17-7

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat