(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S,6S)-3-[(2R,3R,4S,5S,6S)-6-carbonoperoxoyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methoxycarbonyl-4,5-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-carboxylic acid

Systemtic Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S,6S)-3-[(2R,3R,4S,5S,6S)-6-carbonoperoxoyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methoxycarbonyl-4,5-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-carboxylic acid Openeye Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S,6S)-3-[(2R,3R,4S,5S,6S)-6-carbonoperoxoyl-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methoxycarbonyl-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 CAS Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[[(2S,3R,4S,5S,6S)-3-[[(2R,3R,4S,5S,6S)-6-carbonoperoxoyl-3,4,5-trihydroxy-2-oxanyl]oxy]-4,5-dihydroxy-6-methoxycarbonyl-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 IUPAC Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S,6S)-3-[(2R,3R,4S,5S,6S)-6-carbonoperoxoyl-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-methoxycarbonyloxan-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 Traditional Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S,6S)-6-carbomethoxy-3-[(2R,3R,4S,5S,6S)-6-carbonoperoxoyl-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-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 Formula: C43H66O16 MolecularWeight: 838.97454

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)OC)O)O)OC7C(C(C(C(O7)C(=O)OO)O)O)O)C)C)C2C1)C)C(=O)O)C

Isomeric SMILES

C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OC)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)OO)O)O)O

InChI

InChI=1S/C43H66O16/c1-38(2)15-17-43(37(51)52)18-16-41(6)20(21(43)19-38)9-10-23-40(5)13-12-24(39(3,4)22(40)11-14-42(23,41)7)55-36-32(28(47)27(46)30(57-36)33(49)54-8)58-35-29(48)25(44)26(45)31(56-35)34(50)59-53/h9,21-32,35-36,44-48,53H,10-19H2,1-8H3,(H,51,52)/t21-,22-,23+,24-,25-,26-,27-,28-,29+,30-,31-,32+,35-,36-,40-,41+,42+,43-/m0/s1