(2R,3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-5-[(3S,5R,7S,8R,9S)-7-[(4-chlorophenyl)methoxy]-9-[(2S,3R,4S)-3,5-dimethoxy-4-methyl-5-oxidanylidene-pentan-2-yl]-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)-7-[(4-chlorophenyl)methoxy]-9-[(2S,3R,4S)-3,5-dimethoxy-4-methyl-5-oxidanylidene-pentan-2-yl]-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)-7-[(4-chlorophenyl)methoxy]-9-[(1S,2R,3S)-2,4-dimethoxy-1,3-dimethyl-4-oxo-butyl]-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)-7-[(4-chlorophenyl)methoxy]-9-[(2S,3R,4S)-3,5-dimethoxy-4-methyl-5-oxopentan-2-yl]-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)-7-[(4-chlorophenyl)methoxy]-9-[(2S,3R,4S)-3,5-dimethoxy-4-methyl-5-oxopentan-2-yl]-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)-5-[(3S,5R,7S,8R,9S)-7-(4-chlorobenzyl)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]-2-ethyl-tetrahydrofuran-2-yl]-4-methyl-tetrahydrofuran-2-yl]-2-methoxy-3,5-dimethyl-tetrahydropyran-2-carboxylic acid Formula: C45H69ClO12 MolecularWeight: 837.47516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)OC)OC)C)OCC4=CC=C(C=C4)Cl)C)C5C(CC(O5)C6C(CC(C(O6)(C(=O)O)OC)C)C)C

Isomeric SMILES

CC[C@]1(CC[C@@H](O1)[C@@]2(CC[C@@]3(O2)C[C@@H]([C@H]([C@H](O3)[C@@H](C)[C@H]([C@H](C)C(=O)OC)OC)C)OCC4=CC=C(C=C4)Cl)C)[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

InChI

InChI=1S/C45H69ClO12/c1-12-43(39-26(3)22-33(54-39)36-25(2)21-27(4)45(52-11,57-36)41(48)49)18-17-35(55-43)42(8)19-20-44(58-42)23-34(53-24-31-13-15-32(46)16-14-31)28(5)38(56-44)29(6)37(50-9)30(7)40(47)51-10/h13-16,25-30,33-39H,12,17-24H2,1-11H3,(H,48,49)/t25-,26-,27+,28+,29-,30-,33+,34-,35+,36-,37+,38-,39+,42-,43-,44+,45+/m0/s1