FCMD
Food Contact Materials Database
(8R,9S,13S,14S)-3-Ethynyl-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one
CAS Number: 221872-85-1
IUPAC name: (8R,9S,13S,14S)-3-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Molecular formula: C20H22O
Molecular weight: 278.4
InChI: InChI=1S/C20H22O/c1-3-13-4-6-15-14(12-13)5-7-17-16(15)10-11-20(2)18(17)8-9-19(20)21/h1,4,6,12,16-18H,5,7-11H2,2H3/t16-,17-,18+,20+/m1/s1
InChIKey: JLOSEIIBBXDBSR-XSYGEPLQSA-N
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)C#C
EINECS: -
