(2S,3S,4R,5R,6R)-6-[[(3S,6aR,6bS,8aS,14bR)-8a-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxycarbonyl-4,4,6a,6b,14b-pentamethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4R,5R,6R)-6-[[(3S,6aR,6bS,8aS,14bR)-8a-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxycarbonyl-4,4,6a,6b,14b-pentamethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4R,5R,6R)-6-[[(3S,6aR,6bS,8aS,14bR)-4,4,6a,6b,14b-pentamethyl-11-methylene-8a-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4R,5R,6R)-6-[[(3S,6aR,6bS,8aS,14bR)-4,4,6a,6b,14b-pentamethyl-11-methylene-8a-[oxo-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]methyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4R,5R,6R)-6-[[(3S,6aR,6bS,8aS,14bR)-4,4,6a,6b,14b-pentamethyl-11-methylidene-8a-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4R,5R,6R)-6-[[(3S,6aR,6bS,8aS,14bR)-4,4,6a,6b,14b-pentamethyl-11-methylene-8a-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C41H62O14 MolecularWeight: 778.92258

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)O)C)CC=C5C3(CCC6(C5CC(=C)CC6)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C

Isomeric SMILES

C[C@]12CC[C@@H](C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(=C)CC5)C(=O)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)C(=O)O)O)O)O

InChI

InChI=1S/C41H62O14/c1-19-9-14-41(36(51)55-34-30(47)27(44)26(43)22(18-42)52-34)16-15-39(5)20(21(41)17-19)7-8-24-38(4)12-11-25(37(2,3)23(38)10-13-40(24,39)6)53-35-31(48)28(45)29(46)32(54-35)33(49)50/h7,21-32,34-35,42-48H,1,8-18H2,2-6H3,(H,49,50)/t21?,22-,23?,24?,25+,26-,27-,28-,29+,30-,31-,32+,34+,35-,38+,39-,40-,41+/m1/s1