(2R,3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(3S,5R,7S,8R,9S)-9-[(2S,3R,4S)-3-methoxy-4-methyl-5-oxidanyl-5-oxidanylidene-pentan-2-yl]-3,8-dimethyl-7-oxidanyl-4,10-dioxaspiro[4.5]decan-3-yl]oxolan-2-yl]-4-methyl-oxolan-2-yl]-3,5-dimethyl-2-oxidanyl-oxane-2-carboxylic acid

Systemtic Name: (2R,3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(3S,5R,7S,8R,9S)-9-[(2S,3R,4S)-3-methoxy-4-methyl-5-oxidanyl-5-oxidanylidene-pentan-2-yl]-3,8-dimethyl-7-oxidanyl-4,10-dioxaspiro[4.5]decan-3-yl]oxolan-2-yl]-4-methyl-oxolan-2-yl]-3,5-dimethyl-2-oxidanyl-oxane-2-carboxylic acid Openeye Name: (2R,3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(3S,5R,7S,8R,9S)-7-hydroxy-9-[(1S,2R,3S)-4-hydroxy-2-methoxy-1,3-dimethyl-4-oxo-butyl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-3-yl]tetrahydrofuran-2-yl]-4-methyl-tetrahydrofuran-2-yl]-2-hydroxy-3,5-dimethyl-tetrahydropyran-2-carboxylic acid CAS Name: (2R,3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(3S,5R,7S,8R,9S)-7-hydroxy-9-[(2S,3R,4S)-5-hydroxy-3-methoxy-4-methyl-5-oxopentan-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-3-yl]-2-oxolanyl]-4-methyl-2-oxolanyl]-2-hydroxy-3,5-dimethyl-2-oxanecarboxylic acid IUPAC Name: (2R,3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(3S,5R,7S,8R,9S)-7-hydroxy-9-[(2S,3R,4S)-5-hydroxy-3-methoxy-4-methyl-5-oxopentan-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-3-yl]oxolan-2-yl]-4-methyloxolan-2-yl]-2-hydroxy-3,5-dimethyloxane-2-carboxylic acid Traditional Name: (2R,3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(3S,5R,7S,8R,9S)-7-hydroxy-9-[(1S,2R,3S)-4-hydroxy-4-keto-2-methoxy-1,3-dimethyl-butyl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-3-yl]tetrahydrofuran-2-yl]-4-methyl-tetrahydrofuran-2-yl]-2-hydroxy-3,5-dimethyl-tetrahydropyran-2-carboxylic acid Formula: C36H60O12 MolecularWeight: 684.8544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)O)OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(C(=O)O)O)C)C)C

Isomeric SMILES

CC[C@]1(CC[C@@H](O1)[C@@]2(CC[C@@]3(O2)C[C@@H]([C@H]([C@H](O3)[C@@H](C)[C@H]([C@H](C)C(=O)O)OC)C)O)C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(C(=O)O)O)C)C)C

InChI

InChI=1S/C36H60O12/c1-10-34(30-19(3)16-25(44-30)27-18(2)15-20(4)36(42,47-27)32(40)41)12-11-26(45-34)33(8)13-14-35(48-33)17-24(37)21(5)29(46-35)22(6)28(43-9)23(7)31(38)39/h18-30,37,42H,10-17H2,1-9H3,(H,38,39)(H,40,41)/t18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28+,29-,30+,33-,34-,35+,36+/m0/s1