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

Systemtic Name: [(2S,3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-yl] (4aS,6bR,10S,12aR)-10-[(2S,3R,4S,5S)-5-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate Openeye Name: [(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl] (4aS,6bR,10S,12aR)-10-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate CAS Name: (4aS,6bR,10S,12aR)-10-[[(2S,3R,4S,5S)-3,4-dihydroxy-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2S,3R,4S,5S)-3,4,5-trihydroxy-2-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl] (4aS,6bR,10S,12aR)-10-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate Traditional Name: (4aS,6bR,10S,12aR)-10-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl] ester Formula: C46H74O16 MolecularWeight: 883.07016

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)OC7C(C(C(C(O7)CO)O)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(CO8)O)O)O)C

Isomeric SMILES

C[C@]12CC[C@@H](C(C1CC[C@@]3(C2CC=C4C3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@@H]([C@H](CO7)O[C@H]8[C@@H]([C@@H]([C@@H]([C@H](O8)CO)O)O)O)O)O

InChI

InChI=1S/C46H74O16/c1-41(2)14-16-46(40(56)62-38-34(53)30(49)24(48)20-57-38)17-15-44(6)22(23(46)18-41)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-45(28,44)7)61-37-35(54)32(51)26(21-58-37)60-39-36(55)33(52)31(50)25(19-47)59-39/h8,23-39,47-55H,9-21H2,1-7H3/t23?,24-,25+,26-,27?,28?,29-,30-,31+,32+,33+,34+,35+,36+,37-,38-,39-,43-,44?,45+,46-/m0/s1