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

Systemtic Name: (3R,4aR,6aS,6aS,6bR,9S,10R,12aR,14bR)-9-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,2,6a,6b,9,12a-hexamethyl-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Openeye Name: (3R,4aR,6aS,6aS,6bR,9S,10R,12aR,14bR)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-10-hydroxy-9-(hydroxymethyl)-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 CAS Name: (3R,4aR,6aS,6aS,6bR,9S,10R,12aR,14bR)-3-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-10-hydroxy-9-(hydroxymethyl)-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 IUPAC Name: (3R,4aR,6aS,6aS,6bR,9S,10R,12aR,14bR)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-9-(hydroxymethyl)-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 Traditional Name: (3R,4aR,6aS,6aS,6bR,9S,10R,12aR,14bR)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-9-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Formula: C42H68O15 MolecularWeight: 812.98032

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C(=O)O)C)C)(C)CO)O)C)C

Isomeric SMILES

C[C@]12CC[C@H]([C@](C1CC[C@@]3([C@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC([C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C)C(=O)O)C)C)(C)CO)O

InChI

InChI=1S/C42H68O15/c1-37(2)15-21-20-7-8-25-38(3)11-10-26(46)39(4,19-45)24(38)9-12-41(25,6)40(20,5)13-14-42(21,36(52)53)16-27(37)56-35-33(31(50)29(48)23(18-44)55-35)57-34-32(51)30(49)28(47)22(17-43)54-34/h7,21-35,43-51H,8-19H2,1-6H3,(H,52,53)/t21-,22-,23-,24?,25+,26-,27-,28-,29-,30+,31+,32-,33-,34+,35+,38+,39-,40-,41-,42-/m1/s1