2-[(2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-2-yl)carbonylamino]butanedioic acid

Systemtic Name: 2-[(2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-2-yl)carbonylamino]butanedioic acid Openeye Name: 2-[(10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carbonyl)amino]butanedioic acid CAS Name: 2-[[(10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-2-yl)-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[(10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carbonyl)amino]butanedioic acid Traditional Name: 2-[(10-hydroxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carbonyl)amino]succinic acid Formula: C34H51NO7 MolecularWeight: 585.77124

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)NC(CC(=O)O)C(=O)O)C)C)C)C

Isomeric SMILES

CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)NC(CC(=O)O)C(=O)O)C)C)C)C

InChI

InChI=1S/C34H51NO7/c1-29(2)23-8-11-34(7)26(32(23,5)10-9-24(29)37)22(36)16-19-20-18-31(4,13-12-30(20,3)14-15-33(19,34)6)28(42)35-21(27(40)41)17-25(38)39/h16,20-21,23-24,26,37H,8-15,17-18H2,1-7H3,(H,35,42)(H,38,39)(H,40,41)