(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-[(4-ethylphenyl)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-[(4-ethylphenyl)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-[(4-ethylphenyl)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-[(4-ethylphenyl)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-[(4-ethylphenyl)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)-7-(4-ethylbenzyl)oxy-9-[(1S,2R,3S)-4-keto-2,4-dimethoxy-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: C47H74O12 MolecularWeight: 831.08326

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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)OC)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)OC)OC

InChI

InChI=1S/C47H74O12/c1-13-33-15-17-34(18-16-33)26-54-36-25-46(57-40(30(36)6)31(7)39(51-10)32(8)42(48)52-11)22-21-44(9,59-46)37-19-20-45(14-2,56-37)41-28(4)24-35(55-41)38-27(3)23-29(5)47(53-12,58-38)43(49)50/h15-18,27-32,35-41H,13-14,19-26H2,1-12H3,(H,49,50)/t27-,28-,29+,30+,31-,32-,35+,36-,37+,38-,39+,40-,41+,44-,45-,46+,47+/m0/s1