(3beta,5alpha)-Stigmastan-3-yl 3-(4-hydroxy-3-methoxyphenyl)-2-propenoate

Analyte Name

(3beta,5alpha)-Stigmastan-3-yl 3-(4-hydroxy-3-methoxyphenyl)-2-propenoate

CAS Number

106774-76-9

Molecular Formula

C39H60O4

Molecular Weight

592.89

Accurate Mass

592.45

SMILES

OC1=CC=C(/C=C/C(O[C@@H]2C[C@@](CC[C@]3([H])[C@]4([H])CC[C@@]5(C)[C@@]3([H])CC[C@]5([H])[C@H](C)CC[C@@H](CC)C(C)C)([H])[C@]4(C)CC2)=O)C=C1OC

InChI

InChI=1S/C39H60O4/c1-8-28(25(2)3)12-9-26(4)32-15-16-33-31-14-13-29-24-30(19-21-38(29,5)34(31)20-22-39(32,33)6)43-37(41)18-11-27-10-17-35(40)36(23-27)42-7/h10-11,17-18,23,25-26,28-34,40H,8-9,12-16,19-22,24H2,1-7H3/b18-11+/t26-,28-,29+,30+,31+,32-,33+,34+,38+,39-/m1/s1

IUPAC

(3S,5S,8R,9S,10S,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat