2-[[(Z)-[(3aR,9S,9aR,10R,11aS)-10-acetyloxy-9-(methoxymethyl)-9a,11a-dimethyl-5-oxidanyl-1,4,7-tris(oxidanylidene)-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-6-ylidene]methyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[(Z)-[(3aR,9S,9aR,10R,11aS)-10-acetyloxy-9-(methoxymethyl)-9a,11a-dimethyl-5-oxidanyl-1,4,7-tris(oxidanylidene)-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-6-ylidene]methyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[(Z)-[(3aR,9S,9aR,10R,11aS)-10-acetoxy-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-6-ylidene]methyl]-methyl-amino]acetic acid CAS Name: 2-[[(Z)-[(3aR,9S,9aR,10R,11aS)-10-acetyloxy-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-2,3,3a,9,10,11-hexahydroindeno[4,5-h][2]benzopyran-6-ylidene]methyl]-methylamino]acetic acid IUPAC Name: 2-[[(Z)-[(3aR,9S,9aR,10R,11aS)-10-acetyloxy-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-6-ylidene]methyl]-methylamino]acetic acid Traditional Name: 2-[[(Z)-[(3aR,9S,9aR,10R,11aS)-10-acetoxy-5-hydroxy-1,4,7-triketo-9-(methoxymethyl)-9a,11a-dimethyl-2,3,3a,9,10,11-hexahydroinden[4,5-h]isochromen-6-ylidene]methyl]-methyl-amino]acetic acid Formula: C26H31NO10 MolecularWeight: 517.52504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C(=CN(C)CC(=O)O)C4=C(C3=O)O)COC)C)C

Isomeric SMILES

CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)/C(=C\N(C)CC(=O)O)/C4=C(C3=O)O)COC)C)C

InChI

InChI=1S/C26H31NO10/c1-12(28)36-15-8-25(2)14(6-7-16(25)29)19-21(15)26(3)17(11-35-5)37-24(34)13(9-27(4)10-18(30)31)20(26)23(33)22(19)32/h9,14-15,17,33H,6-8,10-11H2,1-5H3,(H,30,31)/b13-9-/t14-,15+,17+,25-,26-/m0/s1