Catalog Number:
AG000ZRJ
Chemical Name:
Androsta-1,4,6-triene-3,17-dione, 7-(2-phenylethyl)- (9CI)
CAS Number:
131802-67-0
Molecular Formula:
C27H30O2
Molecular Weight:
386.5259
IUPAC Name:
(8R,9S,10R,13S,14S)-10,13-dimethyl-7-(2-phenylethyl)-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione
InChI:
InChI=1S/C27H30O2/c1-26-14-12-21(28)17-20(26)16-19(9-8-18-6-4-3-5-7-18)25-22-10-11-24(29)27(22,2)15-13-23(25)26/h3-7,12,14,16-17,22-23,25H,8-11,13,15H2,1-2H3/t22-,23-,25-,26-,27-/m0/s1
InChI Key:
KAZZIVRRZAPNCV-CVSNDOPFSA-N
SMILES:
O=C1C=C[C@]2(C(=C1)C=C([C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)CCc1ccccc1)C