Catalog Number:
AG003VJ1
Chemical Name:
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-(2-hydroxyphenyl)prop-2-enoate
CAS Number:
99910-85-7
Molecular Formula:
C36H52O3
Molecular Weight:
532.7963
IUPAC Name:
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-(2-hydroxyphenyl)prop-2-enoate
InChI:
InChI=1S/C36H52O3/c1-24(2)9-8-10-25(3)30-16-17-31-29-15-14-27-23-28(19-21-35(27,4)32(29)20-22-36(30,31)5)39-34(38)18-13-26-11-6-7-12-33(26)37/h6-7,11-14,18,24-25,28-32,37H,8-10,15-17,19-23H2,1-5H3/t25-,28+,29+,30-,31+,32+,35+,36-/m1/s1
InChI Key:
JPTUJXPTFCNGAF-CEPFJRGJSA-N
SMILES:
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)/C=C/c1ccccc1O)C)C