gestrinone

CAS: 16320-04-0

Formula: C21H24O2

SMILES: CC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C#C

IUPAC: (1R,3aS,3bS,11aS)-11a-ethyl-1-ethynyl-1-hydroxy-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,11aH-cyclopenta[a]phenanthren-7-one

InChI: InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21-/m0/s1

Composition: C (81.78%), H (7.84%), O (10.37%)

Molar Mass: 308.421

Atom Count: 47

Heavy Atom Count: 23