(2S,3R,4S)-4-[(3S,5R,6R,7R,8R,9S)-3-[(2R,3R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-3,5-dimethyl-2-oxidanyl-5-[(1R)-1-oxidanylpropyl]oxolan-2-yl]-3-methyl-oxolan-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyl-oxan-2-yl]oxy-5-methyl-oxolan-2-yl]-7-methoxy-6,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methyl-pentanoic acid

Systemtic Name: (2S,3R,4S)-4-[(3S,5R,6R,7R,8R,9S)-3-[(2R,3R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-3,5-dimethyl-2-oxidanyl-5-[(1R)-1-oxidanylpropyl]oxolan-2-yl]-3-methyl-oxolan-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyl-oxan-2-yl]oxy-5-methyl-oxolan-2-yl]-7-methoxy-6,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methyl-pentanoic acid Openeye Name: (2S,3R,4S)-4-[(3S,5R,6R,7R,8R,9S)-3-[(2R,3R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-2-hydroxy-5-[(1R)-1-hydroxypropyl]-3,5-dimethyl-tetrahydrofuran-2-yl]-3-methyl-tetrahydrofuran-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-5-methyl-tetrahydrofuran-2-yl]-7-methoxy-6,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methyl-pentanoic acid CAS Name: (2S,3R,4S)-4-[(3S,5R,6R,7R,8R,9S)-3-[(2R,3R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-2-hydroxy-5-[(1R)-1-hydroxypropyl]-3,5-dimethyl-2-oxolanyl]-3-methyl-2-oxolanyl]-3-[[(2S,5S,6R)-5-methoxy-6-methyl-2-oxanyl]oxy]-5-methyl-2-oxolanyl]-7-methoxy-6,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid IUPAC Name: (2S,3R,4S)-4-[(3S,5R,6R,7R,8R,9S)-3-[(2R,3R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-2-hydroxy-5-[(1R)-1-hydroxypropyl]-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-5-methyloxolan-2-yl]-7-methoxy-6,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid Traditional Name: (2S,3R,4S)-4-[(3S,5R,6R,7R,8R,9S)-3-[(2R,3R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-2-hydroxy-5-[(1R)-1-hydroxypropyl]-3,5-dimethyl-tetrahydrofuran-2-yl]-3-methyl-tetrahydrofuran-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-5-methyl-tetrahydrofuran-2-yl]-7-methoxy-6,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methyl-valeric acid Formula: C44H76O14 MolecularWeight: 829.06584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1(CC(C(O1)(C2CC(C(O2)C3(CC(C(O3)C4CCC5(O4)C(C(C(C(O5)C(C)C(C(C)C(=O)O)OC)C)OC)C)OC6CCC(C(O6)C)OC)C)C)O)C)C)O

Isomeric SMILES

CC[C@H]([C@@]1(C[C@@H]([C@](O1)([C@H]2C[C@@H]([C@@H](O2)[C@@]3(C[C@H]([C@@H](O3)[C@@H]4CC[C@@]5(O4)[C@@H]([C@@H]([C@H]([C@H](O5)[C@@H](C)[C@H]([C@H](C)C(=O)O)OC)C)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)OC)C)C)O)C)C)O

InChI

InChI=1S/C44H76O14/c1-14-32(45)41(9)20-23(3)44(48,58-41)33-19-22(2)39(54-33)42(10)21-31(53-34-16-15-29(49-11)28(8)52-34)38(56-42)30-17-18-43(55-30)27(7)37(51-13)25(5)36(57-43)24(4)35(50-12)26(6)40(46)47/h22-39,45,48H,14-21H2,1-13H3,(H,46,47)/t22-,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33+,34-,35+,36+,37+,38-,39+,41-,42-,43-,44-/m0/s1