2-[(2S,3R,4R,5S,6R)-3-ethyl-6-[(2S,3S,4S,6R)-6-[(2S,3S,5S)-5-[(2R,3R,5R)-5-ethyl-3-methyl-2-oxidanyl-5-[(1S)-1-oxidanylpropyl]oxolan-2-yl]-3,5-dimethyl-oxolan-2-yl]-4-methyl-3-oxidanyl-5-oxidanylidene-octan-2-yl]-5-methyl-2,4-bis(oxidanyl)oxan-2-yl]ethanoic acid

Systemtic Name: 2-[(2S,3R,4R,5S,6R)-3-ethyl-6-[(2S,3S,4S,6R)-6-[(2S,3S,5S)-5-[(2R,3R,5R)-5-ethyl-3-methyl-2-oxidanyl-5-[(1S)-1-oxidanylpropyl]oxolan-2-yl]-3,5-dimethyl-oxolan-2-yl]-4-methyl-3-oxidanyl-5-oxidanylidene-octan-2-yl]-5-methyl-2,4-bis(oxidanyl)oxan-2-yl]ethanoic acid Openeye Name: 2-[(2S,3R,4R,5S,6R)-3-ethyl-6-[(1S,2S,3S,5R)-5-[(2S,3S,5S)-5-[(2R,3R,5R)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxypropyl]-3-methyl-tetrahydrofuran-2-yl]-3,5-dimethyl-tetrahydrofuran-2-yl]-2-hydroxy-1,3-dimethyl-4-oxo-heptyl]-2,4-dihydroxy-5-methyl-tetrahydropyran-2-yl]acetic acid CAS Name: 2-[(2S,3R,4R,5S,6R)-3-ethyl-6-[(2S,3S,4S,6R)-6-[(2S,3S,5S)-5-[(2R,3R,5R)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxypropyl]-3-methyl-2-oxolanyl]-3,5-dimethyl-2-oxolanyl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-2,4-dihydroxy-5-methyl-2-oxanyl]acetic acid IUPAC Name: 2-[(2S,3R,4R,5S,6R)-3-ethyl-6-[(2S,3S,4S,6R)-6-[(2S,3S,5S)-5-[(2R,3R,5R)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxypropyl]-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-2,4-dihydroxy-5-methyloxan-2-yl]acetic acid Traditional Name: 2-[(2S,3R,4R,5S,6R)-3-ethyl-6-[(1S,2S,3S,5R)-5-[(2S,3S,5S)-5-[(2R,3R,5R)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxypropyl]-3-methyl-tetrahydrofuran-2-yl]-3,5-dimethyl-tetrahydrofuran-2-yl]-2-hydroxy-4-keto-1,3-dimethyl-heptyl]-2,4-dihydroxy-5-methyl-tetrahydropyran-2-yl]acetic acid Formula: C35H62O11 MolecularWeight: 658.86018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(OC1(CC(=O)O)O)C(C)C(C(C)C(=O)C(CC)C2C(CC(O2)(C)C3(C(CC(O3)(CC)C(CC)O)C)O)C)O)C)O

Isomeric SMILES

CC[C@@H]1[C@@H]([C@@H]([C@H](O[C@]1(CC(=O)O)O)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@@](O2)(C)[C@]3([C@@H](C[C@](O3)(CC)[C@H](CC)O)C)O)C)O)C)O

InChI

InChI=1S/C35H62O11/c1-11-23(30-18(5)15-32(10,44-30)35(43)19(6)16-33(14-4,46-35)25(36)13-3)28(40)20(7)27(39)21(8)31-22(9)29(41)24(12-2)34(42,45-31)17-26(37)38/h18-25,27,29-31,36,39,41-43H,11-17H2,1-10H3,(H,37,38)/t18-,19+,20-,21-,22-,23-,24+,25-,27+,29+,30-,31+,32-,33+,34-,35+/m0/s1