4-benzamido-5-(dipropylamino)-5-oxidanylidene-pentanoic acid; (8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione

Systemtic Name: 4-benzamido-5-(dipropylamino)-5-oxidanylidene-pentanoic acid; (8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione Openeye Name: 4-benzamido-5-(dipropylamino)-5-oxo-pentanoic acid; (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione CAS Name: 4-benzamido-5-(dipropylamino)-5-oxopentanoic acid; (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione IUPAC Name: 4-benzamido-5-(dipropylamino)-5-oxopentanoic acid; (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione Traditional Name: 4-benzamido-5-(dipropylamino)-5-keto-valeric acid; (8S,9S,10R,13S,14S,17R)-17-glycoloyl-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-quinone Formula: C39H52N2O9 MolecularWeight: 692.83818

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC=CC=C1.CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C

Isomeric SMILES

CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC=CC=C1.C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C

InChI

InChI=1S/C21H26O5.C18H26N2O4/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19;1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3;5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)/t14-,15-,18+,19-,20-,21-;/m0./s1