Catalog Number:
AG000C1X
Chemical Name:
Pregn-4-en-20-yn-3-one, 9,17-dihydroxy-, (17α)-
CAS Number:
116256-39-4
Molecular Formula:
C21H28O3
Molecular Weight:
328.4452
IUPAC Name:
17-ethynyl-9,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C21H28O3/c1-4-20(23)10-8-16-17-6-5-14-13-15(22)7-9-18(14,2)21(17,24)12-11-19(16,20)3/h1,13,16-17,23-24H,5-12H2,2-3H3
InChI Key:
UGLZRWDRJDINHF-UHFFFAOYSA-N
SMILES:
C#CC1(O)CC[C@@H]2[C@]1(C)CC[C@]1([C@H]2CCC2=CC(=O)CC[C@]12C)O