(2R,3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(3S,5R,7S,8R,9S)-7-[(4-ethylphenyl)methoxy]-9-[(2S,3R,4S)-3-methoxy-4-methyl-5-oxidanyl-5-oxidanylidene-pentan-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-3-yl]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)-2-ethyl-5-[(3S,5R,7S,8R,9S)-7-[(4-ethylphenyl)methoxy]-9-[(2S,3R,4S)-3-methoxy-4-methyl-5-oxidanyl-5-oxidanylidene-pentan-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-3-yl]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)-2-ethyl-5-[(3S,5R,7S,8R,9S)-7-[(4-ethylphenyl)methoxy]-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-methoxy-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-[(4-ethylphenyl)methoxy]-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-methoxy-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-[(4-ethylphenyl)methoxy]-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-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)-7-(4-ethylbenzyl)oxy-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-methoxy-3,5-dimethyl-tetrahydropyran-2-carboxylic acid Formula: C46H72O12 MolecularWeight: 817.05668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)COC2CC3(CCC(O3)(C)C4CCC(O4)(CC)C5C(CC(O5)C6C(CC(C(O6)(C(=O)O)OC)C)C)C)OC(C2C)C(C)C(C(C)C(=O)O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)CO[C@H]2C[C@]3(CC[C@@](O3)(C)[C@H]4CC[C@@](O4)(CC)[C@H]5[C@H](C[C@@H](O5)[C@@H]6[C@H](C[C@H]([C@@](O6)(C(=O)O)OC)C)C)C)O[C@@H]([C@@H]2C)[C@@H](C)[C@H]([C@H](C)C(=O)O)OC

InChI

InChI=1S/C46H72O12/c1-12-32-14-16-33(17-15-32)25-53-35-24-45(56-39(29(35)6)30(7)38(51-10)31(8)41(47)48)21-20-43(9,58-45)36-18-19-44(13-2,55-36)40-27(4)23-34(54-40)37-26(3)22-28(5)46(52-11,57-37)42(49)50/h14-17,26-31,34-40H,12-13,18-25H2,1-11H3,(H,47,48)(H,49,50)/t26-,27-,28+,29+,30-,31-,34+,35-,36+,37-,38+,39-,40+,43-,44-,45+,46+/m0/s1