(2R,3R,4R,5S,6S)-6-[(4S)-6-[(1R,4E,7aR)-7a-methyl-4-[(2Z)-2-[(5S)-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-2-oxidanyl-3-oxidanylidene-heptan-4-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2R,3R,4R,5S,6S)-6-[(4S)-6-[(1R,4E,7aR)-7a-methyl-4-[(2Z)-2-[(5S)-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-2-oxidanyl-3-oxidanylidene-heptan-4-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2R,3R,4R,5S,6S)-6-[(1S)-1-[2-[(1R,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyl-2-oxo-butoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2R,3R,4R,5S,6S)-6-[(4S)-6-[(1R,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-hydroxy-2-methyl-3-oxoheptan-4-yl]oxy-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2R,3R,4R,5S,6S)-6-[(4S)-6-[(1R,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-hydroxy-2-methyl-3-oxoheptan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2R,3R,4R,5S,6S)-6-[(1S)-1-[2-[(1R,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-hydroxy-2-keto-3-methyl-butoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C33H50O10 MolecularWeight: 606.7441

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)C(C)(C)O)OC1C(C(C(C(O1)C(=O)O)O)O)O)C2CCC3C2(CCCC3=CC=C4CC(CCC4=C)O)C

Isomeric SMILES

CC(C[C@@H](C(=O)C(C)(C)O)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O)O)[C@H]2CCC\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](CCC4=C)O)C

InChI

InChI=1S/C33H50O10/c1-17-8-11-21(34)16-20(17)10-9-19-7-6-14-33(5)22(12-13-23(19)33)18(2)15-24(29(38)32(3,4)41)42-31-27(37)25(35)26(36)28(43-31)30(39)40/h9-10,18,21-28,31,34-37,41H,1,6-8,11-16H2,2-5H3,(H,39,40)/b19-9+,20-10-/t18?,21-,22+,23?,24-,25+,26+,27-,28+,31-,33+/m0/s1