methyl (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bR,8aS,11S,12aS,14aR,14bS)-11-methoxycarbonyl-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14a-tetradecahydro-1H-picen-3-yl]oxy]-6-methoxycarbonyl-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bR,8aS,11S,12aS,14aR,14bS)-11-methoxycarbonyl-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14a-tetradecahydro-1H-picen-3-yl]oxy]-6-methoxycarbonyl-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate Openeye Name: methyl (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bR,8aS,11S,12aS,14aR,14bS)-11-methoxycarbonyl-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14a-tetradecahydro-1H-picen-3-yl]oxy]-4,5-dihydroxy-6-methoxycarbonyl-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bR,8aS,11S,12aS,14aR,14bS)-11-methoxycarbonyl-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14a-tetradecahydro-1H-picen-3-yl]oxy]-4,5-dihydroxy-6-methoxycarbonyl-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bR,8aS,11S,12aS,14aR,14bS)-11-methoxycarbonyl-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14a-tetradecahydro-1H-picen-3-yl]oxy]-4,5-dihydroxy-6-methoxycarbonyloxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate Traditional Name: (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bR,8aS,11S,12aS,14aR,14bS)-11-carbomethoxy-14-keto-4,4,6a,6b,8a,11,14b-heptamethyl-2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14a-tetradecahydro-1H-picen-3-yl]oxy]-6-carbomethoxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C45H70O16 MolecularWeight: 867.0277

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)OC)O)O)OC5C(C(C(C(O5)C(=O)OC)O)O)O)C)C(=O)CC6C3(CCC7(C6CC(CC7)(C)C(=O)OC)C)C)C)C

Isomeric SMILES

C[C@]12CC[C@](C[C@H]1C3CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OC)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)OC)O)O)O)C)(C)C(=O)OC

InChI

InChI=1S/C45H70O16/c1-40(2)24-11-14-45(7)34(23(46)19-21-22-20-42(4,39(54)57-10)16-15-41(22,3)17-18-44(21,45)6)43(24,5)13-12-25(40)58-38-33(29(50)28(49)32(60-38)36(53)56-9)61-37-30(51)26(47)27(48)31(59-37)35(52)55-8/h21-22,24-34,37-38,47-51H,11-20H2,1-10H3/t21?,22-,24-,25-,26-,27-,28-,29-,30+,31-,32-,33+,34+,37-,38-,41+,42-,43-,44+,45+/m0/s1