Analyte Name

(E)-(8S,9S,10S,13S,14S,17R)-17-Ethynyl-10-hydroperoxy-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl hex-3-enoate

Molecular Formula

C26 H34 O5

Molecular Weight

426.545

Accurate Mass

426.241

SMILES

CC\C=C/CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(OO)[C@H]3CC[C@]12C)C#C

InChI

InChI=1S/C26H34O5/c1-4-6-7-8-23(28)30-25(5-2)15-13-21-20-10-9-18-17-19(27)11-16-26(18,31-29)22(20)12-14-24(21,25)3/h2,6-7,17,20-22,29H,4,8-16H2,1,3H3/b7-6-/t20-,21-,22-,24-,25-,26-/m0/s1

IUPAC

[(8S,9S,10R,13S,14S,17R)-17-ethynyl-10-hydroperoxy-13-methyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] (Z)-hex-3-enoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat