(E,2S,4R,8S)-8-[(2S,5S,6R,7R,9S)-2-[(1S,3R,5R,6R)-3-[(2S,3S,5R,6R)-6-(hydroxymethyl)-3,5-dimethyl-6-oxidanyl-oxan-2-yl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-7-[(2R,5S,6R)-5-methoxy-6-methyl-oxan-2-yl]oxy-2,6-dimethyl-3,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxidanylidene-non-6-enoic acid

Systemtic Name: (E,2S,4R,8S)-8-[(2S,5S,6R,7R,9S)-2-[(1S,3R,5R,6R)-3-[(2S,3S,5R,6R)-6-(hydroxymethyl)-3,5-dimethyl-6-oxidanyl-oxan-2-yl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-7-[(2R,5S,6R)-5-methoxy-6-methyl-oxan-2-yl]oxy-2,6-dimethyl-3,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxidanylidene-non-6-enoic acid Openeye Name: (E,2S,4R,8S)-8-[(2S,5S,6R,7R,9S)-2-[(1S,3R,5R,6R)-3-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-tetrahydropyran-2-yl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-7-[(2R,5S,6R)-5-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-2,6-dimethyl-3,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxo-non-6-enoic acid CAS Name: (E,2S,4R,8S)-8-[(2S,5S,6R,7R,9S)-2-[(1S,3R,5R,6R)-3-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-oxanyl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-7-[[(2R,5S,6R)-5-methoxy-6-methyl-2-oxanyl]oxy]-2,6-dimethyl-3,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxo-6-nonenoic acid IUPAC Name: (E,2S,4R,8S)-8-[(2S,5S,6R,7R,9S)-2-[(1S,3R,5R,6R)-3-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-7-[(2R,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-2,6-dimethyl-3,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid Traditional Name: (E,2S,4R,8S)-8-[(2S,5S,6R,7R,9S)-2-[(1S,3R,5R,6R)-3-[(2S,3S,5R,6R)-6-hydroxy-3,5-dimethyl-6-methylol-tetrahydropyran-2-yl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-7-[(2R,5S,6R)-5-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-2,6-dimethyl-3,10-dioxaspiro[4.5]decan-9-yl]-5-keto-2,4,6-trimethyl-non-6-enoic acid Formula: C47H78O13 MolecularWeight: 851.11442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(OC12C(CC(O2)C3C(CC(C(O3)(CO)O)C)C)C)C4(CC5(CO4)C(C(CC(O5)C(C)C=C(C)C(=O)C(C)CC(C)C(=O)O)OC6CCC(C(O6)C)OC)C)C

Isomeric SMILES

C[C@@H]1CCC(O[C@@]12[C@H](C[C@@H](O2)[C@@H]3[C@H](C[C@H]([C@@](O3)(CO)O)C)C)C)[C@@]4(C[C@@]5(CO4)[C@@H]([C@@H](C[C@H](O5)[C@@H](C)/C=C(\C)/C(=O)[C@H](C)C[C@H](C)C(=O)O)O[C@H]6CC[C@@H]([C@H](O6)C)OC)C)C

InChI

InChI=1S/C47H78O13/c1-25(17-26(2)41(49)27(3)18-29(5)43(50)51)36-21-37(56-40-16-14-35(53-12)34(10)55-40)33(9)45(57-36)22-44(11,54-24-45)39-15-13-30(6)47(59-39)32(8)20-38(58-47)42-28(4)19-31(7)46(52,23-48)60-42/h17,25,27-40,42,48,52H,13-16,18-24H2,1-12H3,(H,50,51)/b26-17+/t25-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,38+,39?,40-,42-,44-,45+,46-,47+/m0/s1