10-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-5-oxidanyl-4-[(2S,3R,4R,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-2-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Systemtic Name: 10-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-5-oxidanyl-4-[(2S,3R,4R,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-2-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Openeye Name: 2-hydroxy-10-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-3-[(2S,3R,4R,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid CAS Name: 2-hydroxy-10-[[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[[(2S,3R,4R,5S)-3,4,5-trihydroxy-2-oxanyl]oxy]-3-[[(2S,3R,4R,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid IUPAC Name: 2-hydroxy-10-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Traditional Name: 2-hydroxy-10-[(2R,3R,4S,5S,6R)-5-hydroxy-6-methylol-4-[(2S,3R,4R,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-3-[(2S,3R,4R,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Formula: C45H72O17 MolecularWeight: 885.04298

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)CO)O)OC5C(C(C(CO5)O)O)O)OC6C(C(C(CO6)O)O)O)C)CC=C7C3(CCC8(C7CC(CC8)(C)O)C(=O)O)C)C)C

Isomeric SMILES

CC1(C2CCC3(C(C2(CCC1O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@@H]([C@H](CO5)O)O)O)O[C@H]6[C@@H]([C@@H]([C@@H](CO6)O)O)O)C)CC=C7C3(CCC8(C7CC(CC8)(C)O)C(=O)O)C)C)C

InChI

InChI=1S/C45H72O17/c1-40(2)26-9-12-44(6)27(8-7-21-22-17-41(3,56)13-15-45(22,39(54)55)16-14-43(21,44)5)42(26,4)11-10-28(40)60-38-35(62-37-33(53)30(50)24(48)20-58-37)34(31(51)25(18-46)59-38)61-36-32(52)29(49)23(47)19-57-36/h7,22-38,46-53,56H,8-20H2,1-6H3,(H,54,55)/t22?,23-,24+,25+,26?,27?,28?,29+,30+,31-,32+,33+,34-,35+,36-,37-,38-,41?,42?,43?,44?,45?/m0/s1