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

Systemtic Name: (3Z)-11-(1,3-benzodioxol-5-yl)-3-hydroxyimino-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol Openeye Name: 11-(1,3-benzodioxol-5-yl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one oxime CAS Name: 11-(1,3-benzodioxol-5-yl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one oxime IUPAC Name: (3Z)-11-(1,3-benzodioxol-5-yl)-3-hydroxyimino-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol Traditional Name: 11-(1,3-benzodioxol-5-yl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one oxime Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CCC2C1(CC(C3=C4CCC(=NO)C=C4CCC23)C5=CC6=C(C=C5)OCO6)C)O

Isomeric SMILES

CC#CC1(CCC2C1(CC(C3=C4CC/C(=N/O)/C=C4CCC23)C5=CC6=C(C=C5)OCO6)C)O

InChI

InChI=1S/C28H31NO4/c1-3-11-28(30)12-10-23-21-7-4-17-13-19(29-31)6-8-20(17)26(21)22(15-27(23,28)2)18-5-9-24-25(14-18)33-16-32-24/h5,9,13-14,21-23,30-31H,4,6-8,10,12,15-16H2,1-2H3/b29-19-