(17-ethynyl-13-methyl-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-3-yl) ethanoate

Systemtic Name: (17-ethynyl-13-methyl-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-3-yl) ethanoate Openeye Name: (17-ethynyl-13-methyl-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-3-yl) acetate CAS Name: acetic acid (17-ethynyl-13-methyl-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-3-yl) ester IUPAC Name: (17-ethynyl-13-methyl-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-3-yl) acetate Traditional Name: acetic acid (17-ethynyl-13-methyl-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-3-yl) ester Formula: C22H22O2 MolecularWeight: 318.40888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3=CC2)CC=C4C#C)C

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3=CC2)CC=C4C#C)C

InChI

InChI=1S/C22H22O2/c1-4-16-6-10-21-20-8-5-15-13-17(24-14(2)23)7-9-18(15)19(20)11-12-22(16,21)3/h1,6-9,13,19,21H,5,10-12H2,2-3H3