(2S,3S)-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]amino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-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]amino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-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]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-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]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-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]amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-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]amino]-3-methyl-valeric acid Formula: C29H37NO10 MolecularWeight: 559.60478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC=C1C2=C(C(=O)C3=C(C2(C(OC1=O)COC)C)C(CC4(C3CCC4=O)C)OC(=O)C)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)N/C=C\1/C2=C(C(=O)C3=C([C@]2([C@H](OC1=O)COC)C)[C@@H](C[C@]4([C@H]3CCC4=O)C)OC(=O)C)O

InChI

InChI=1S/C29H37NO10/c1-7-13(2)23(26(35)36)30-11-15-21-25(34)24(33)20-16-8-9-18(32)28(16,4)10-17(39-14(3)31)22(20)29(21,5)19(12-38-6)40-27(15)37/h11,13,16-17,19,23,30,34H,7-10,12H2,1-6H3,(H,35,36)/b15-11-/t13-,16-,17+,19+,23-,28-,29-/m0/s1