[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (4aS,6aS,6bR,9R,10R,11R,12aR)-2,2,6a,6b,9,12a-hexamethyl-10,11-bis(oxidanyl)-9-[[3,4,5-tris(oxidanyl)phenyl]carbonyloxymethyl]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Systemtic Name: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (4aS,6aS,6bR,9R,10R,11R,12aR)-2,2,6a,6b,9,12a-hexamethyl-10,11-bis(oxidanyl)-9-[[3,4,5-tris(oxidanyl)phenyl]carbonyloxymethyl]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate Openeye Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (4aS,6aS,6bR,9R,10R,11R,12aR)-10,11-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-9-[(3,4,5-trihydroxybenzoyl)oxymethyl]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate CAS Name: (4aS,6aS,6bR,9R,10R,11R,12aR)-10,11-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-9-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aS,6bR,9R,10R,11R,12aR)-10,11-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-9-[(3,4,5-trihydroxybenzoyl)oxymethyl]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate Traditional Name: (4aS,6aS,6bR,9R,10R,11R,12aR)-9-(galloyloxymethyl)-10,11-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester Formula: C43H62O14 MolecularWeight: 802.94398

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)COC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C

Isomeric SMILES

C[C@@]12CCC3[C@@](C1CC=C4[C@]2(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C[C@H]([C@@H]([C@@]3(C)COC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)C

InChI

InChI=1S/C43H62O14/c1-38(2)11-13-43(37(54)57-36-33(51)32(50)31(49)27(19-44)56-36)14-12-41(5)22(23(43)17-38)7-8-29-39(3)18-26(47)34(52)40(4,28(39)9-10-42(29,41)6)20-55-35(53)21-15-24(45)30(48)25(46)16-21/h7,15-16,23,26-29,31-34,36,44-52H,8-14,17-20H2,1-6H3/t23?,26-,27-,28?,29?,31-,32+,33-,34+,36+,39+,40+,41-,42-,43+/m1/s1