(2R,3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(3S,5R,7S,8R,9S)-9-[(2S,3R,4S)-3-methoxy-4-methyl-5-oxidanyl-5-oxidanylidene-pentan-2-yl]-3,8-dimethyl-7-phenylmethoxy-4,10-dioxaspiro[4.5]decan-3-yl]oxolan-2-yl]-4-methyl-oxolan-2-yl]-3,5-dimethyl-2-oxidanyl-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)-9-[(2S,3R,4S)-3-methoxy-4-methyl-5-oxidanyl-5-oxidanylidene-pentan-2-yl]-3,8-dimethyl-7-phenylmethoxy-4,10-dioxaspiro[4.5]decan-3-yl]oxolan-2-yl]-4-methyl-oxolan-2-yl]-3,5-dimethyl-2-oxidanyl-oxane-2-carboxylic acid Openeye Name: (2R,3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-5-[(3S,5R,7S,8R,9S)-7-benzyloxy-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]-2-ethyl-tetrahydrofuran-2-yl]-4-methyl-tetrahydrofuran-2-yl]-2-hydroxy-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)-9-[(2S,3R,4S)-5-hydroxy-3-methoxy-4-methyl-5-oxopentan-2-yl]-3,8-dimethyl-7-phenylmethoxy-4,10-dioxaspiro[4.5]decan-3-yl]-2-oxolanyl]-4-methyl-2-oxolanyl]-2-hydroxy-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)-9-[(2S,3R,4S)-5-hydroxy-3-methoxy-4-methyl-5-oxopentan-2-yl]-3,8-dimethyl-7-phenylmethoxy-4,10-dioxaspiro[4.5]decan-3-yl]oxolan-2-yl]-4-methyloxolan-2-yl]-2-hydroxy-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-benzoxy-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]-2-ethyl-tetrahydrofuran-2-yl]-4-methyl-tetrahydrofuran-2-yl]-2-hydroxy-3,5-dimethyl-tetrahydropyran-2-carboxylic acid Formula: C43H66O12 MolecularWeight: 774.97694

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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)O)OC)C)OCC4=CC=CC=C4)C)C5C(CC(O5)C6C(CC(C(O6)(C(=O)O)O)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)O)OC)C)OCC4=CC=CC=C4)C)[C@H]5[C@H](C[C@@H](O5)[C@@H]6[C@H](C[C@H]([C@@](O6)(C(=O)O)O)C)C)C

InChI

InChI=1S/C43H66O12/c1-10-41(37-25(3)21-31(51-37)34-24(2)20-26(4)43(48,54-34)39(46)47)17-16-33(52-41)40(8)18-19-42(55-40)22-32(50-23-30-14-12-11-13-15-30)27(5)36(53-42)28(6)35(49-9)29(7)38(44)45/h11-15,24-29,31-37,48H,10,16-23H2,1-9H3,(H,44,45)(H,46,47)/t24-,25-,26+,27+,28-,29-,31+,32-,33+,34-,35+,36-,37+,40-,41-,42+,43+/m0/s1