Analyte Name

11-(1,3-Benzodioxol-5-yl)-5,17-dihydroxy-17-(1-propynyl)-estr-9-en-3-one Cyclic 1,2-Ethanediyl Acetal

CAS Number

189035-19-6

Molecular Formula

C30 H36 O6

Molecular Weight

492.603

Accurate Mass

492.251

SMILES

CC#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@]4(O)CC5(CCC4=C3[C@H](C[C@]12C)c6ccc7OCOc7c6)OCCO5

InChI

InChI=1S/C30H36O6/c1-3-9-29(32)11-7-22-20-6-10-28(31)17-30(35-13-14-36-30)12-8-23(28)26(20)21(16-27(22,29)2)19-4-5-24-25(15-19)34-18-33-24/h4-5,15,20-22,31-32H,6-8,10-14,16-18H2,1-2H3/t20-,21+,22-,27-,28+,29-/m0/s1

IUPAC

(5'R,8'S,11'R,13'S,14'S,17'S)-11'-(1,3-benzodioxol-5-yl)-13'-methyl-17'-prop-1-ynylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-5',17'-diol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat