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

Systemtic Name: (2R,3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-5-[(3S,5R,7S,8R,9S)-9-[(2S,3R,4S)-3,5-dimethoxy-4-methyl-5-oxidanylidene-pentan-2-yl]-7-methoxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-3-yl]-2-ethyl-oxolan-2-yl]-4-methyl-oxolan-2-yl]-2-methoxy-3,5-dimethyl-oxane-2-carboxylic acid Openeye Name: (2R,3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-5-[(3S,5R,7S,8R,9S)-9-[(1S,2R,3S)-2,4-dimethoxy-1,3-dimethyl-4-oxo-butyl]-7-methoxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-3-yl]-2-ethyl-tetrahydrofuran-2-yl]-4-methyl-tetrahydrofuran-2-yl]-2-methoxy-3,5-dimethyl-tetrahydropyran-2-carboxylic acid CAS Name: (2R,3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-5-[(3S,5R,7S,8R,9S)-9-[(2S,3R,4S)-3,5-dimethoxy-4-methyl-5-oxopentan-2-yl]-7-methoxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-3-yl]-2-ethyl-2-oxolanyl]-4-methyl-2-oxolanyl]-2-methoxy-3,5-dimethyl-2-oxanecarboxylic acid IUPAC Name: (2R,3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-5-[(3S,5R,7S,8R,9S)-9-[(2S,3R,4S)-3,5-dimethoxy-4-methyl-5-oxopentan-2-yl]-7-methoxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-3-yl]-2-ethyloxolan-2-yl]-4-methyloxolan-2-yl]-2-methoxy-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)-9-[(1S,2R,3S)-4-keto-2,4-dimethoxy-1,3-dimethyl-butyl]-7-methoxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-3-yl]tetrahydrofuran-2-yl]-4-methyl-tetrahydrofuran-2-yl]-2-methoxy-3,5-dimethyl-tetrahydropyran-2-carboxylic acid Formula: C39H66O12 MolecularWeight: 726.93414

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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)OC)OC)C)OC)C)C4C(CC(O4)C5C(CC(C(O5)(C(=O)O)OC)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)OC)OC)C)OC)C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(C(=O)O)OC)C)C)C

InChI

InChI=1S/C39H66O12/c1-13-37(33-22(3)19-27(47-33)30-21(2)18-23(4)39(46-12,50-30)35(41)42)15-14-29(48-37)36(8)16-17-38(51-36)20-28(43-9)24(5)32(49-38)25(6)31(44-10)26(7)34(40)45-11/h21-33H,13-20H2,1-12H3,(H,41,42)/t21-,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,32-,33+,36-,37-,38+,39+/m0/s1