(11R,17R)-11-(1,3-benzodioxol-5-yl)-13-methyl-17-oxidanyl-17-prop-2-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (11R,17R)-11-(1,3-benzodioxol-5-yl)-13-methyl-17-oxidanyl-17-prop-2-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: (11R,17R)-11-(1,3-benzodioxol-5-yl)-17-hydroxy-13-methyl-17-prop-2-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: (11R,17R)-11-(1,3-benzodioxol-5-yl)-17-hydroxy-13-methyl-17-prop-2-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (11R,17R)-11-(1,3-benzodioxol-5-yl)-17-hydroxy-13-methyl-17-prop-2-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: (11R,17R)-11-(1,3-benzodioxol-5-yl)-17-hydroxy-13-methyl-17-propargyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C28H30O4 MolecularWeight: 430.5354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(CC#C)O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC12C[C@@H](C3=C4CCC(=O)C=C4CCC3C1CC[C@]2(CC#C)O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H30O4/c1-3-11-28(30)12-10-23-21-7-4-17-13-19(29)6-8-20(17)26(21)22(15-27(23,28)2)18-5-9-24-25(14-18)32-16-31-24/h1,5,9,13-14,21-23,30H,4,6-8,10-12,15-16H2,2H3/t21?,22-,23?,27?,28+/m1/s1