(2-nitrophenyl)methyl 4-[10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Systemtic Name: (2-nitrophenyl)methyl 4-[10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Openeye Name: (2-nitrophenyl)methyl 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate CAS Name: 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate Traditional Name: 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)valeric acid (2-nitrobenzyl) ester Formula: C31H45NO7 MolecularWeight: 543.6915

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OCC1=CC=CC=C1[N+](=O)[O-])C2CCC3C2(C(CC4C3C(CC5C4(CCC(C5)O)C)O)O)C

Isomeric SMILES

CC(CCC(=O)OCC1=CC=CC=C1[N+](=O)[O-])C2CCC3C2(C(CC4C3C(CC5C4(CCC(C5)O)C)O)O)C

InChI

InChI=1S/C31H45NO7/c1-18(8-11-28(36)39-17-19-6-4-5-7-25(19)32(37)38)22-9-10-23-29-24(16-27(35)31(22,23)3)30(2)13-12-21(33)14-20(30)15-26(29)34/h4-7,18,20-24,26-27,29,33-35H,8-17H2,1-3H3