methyl (3S,4S,4aR)-7-[(5S)-5-acetyloxy-3-methyl-1,9-bis(oxidanyl)-8-oxidanylidene-5,6,7,10a-tetrahydroxanthen-4-yl]-3-methyl-4,8,9-tris(oxidanyl)-1-oxidanylidene-3,4-dihydro-2H-xanthene-4a-carboxylate

Systemtic Name: methyl (3S,4S,4aR)-7-[(5S)-5-acetyloxy-3-methyl-1,9-bis(oxidanyl)-8-oxidanylidene-5,6,7,10a-tetrahydroxanthen-4-yl]-3-methyl-4,8,9-tris(oxidanyl)-1-oxidanylidene-3,4-dihydro-2H-xanthene-4a-carboxylate Openeye Name: methyl (3S,4S,4aR)-7-[(5S)-5-acetoxy-1,9-dihydroxy-3-methyl-8-oxo-5,6,7,10a-tetrahydroxanthen-4-yl]-4,8,9-trihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate CAS Name: (3S,4S,4aR)-7-[(5S)-5-acetyloxy-1,9-dihydroxy-3-methyl-8-oxo-5,6,7,10a-tetrahydroxanthen-4-yl]-4,8,9-trihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S,4aR)-7-[(5S)-5-acetyloxy-1,9-dihydroxy-3-methyl-8-oxo-5,6,7,10a-tetrahydroxanthen-4-yl]-4,8,9-trihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate Traditional Name: (3S,4S,4aR)-7-[(5S)-5-acetoxy-1,9-dihydroxy-8-keto-3-methyl-5,6,7,10a-tetrahydroxanthen-4-yl]-4,8,9-trihydroxy-1-keto-3-methyl-3,4-dihydro-2H-xanthene-4a-carboxylic acid methyl ester Formula: C32H30O13 MolecularWeight: 622.5728

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C5C(=C(C=C4C)O)C(=C6C(O5)C(CCC6=O)OC(=O)C)O)OC2(C1O)C(=O)OC)O

Isomeric SMILES

C[C@H]1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C5C(=C(C=C4C)O)C(=C6C(O5)[C@H](CCC6=O)OC(=O)C)O)O[C@]2([C@H]1O)C(=O)OC)O

InChI

InChI=1S/C32H30O13/c1-11-9-16(35)22-26(38)21-15(34)6-8-19(43-13(3)33)28(21)44-29(22)20(11)14-5-7-18-23(25(14)37)27(39)24-17(36)10-12(2)30(40)32(24,45-18)31(41)42-4/h5,7,9,12,19,28,30,35,37-40H,6,8,10H2,1-4H3/t12-,19-,28?,30-,32+/m0/s1