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

Systemtic Name: (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-4a-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxycarbonyl-1,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4R,5S,6S)-6-methyl-3,5-bis(oxidanyl)-4-[(2R,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid Openeye Name: (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1,2,6b,9,9,12a-hexamethyl-4a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycarbonyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid CAS Name: (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[[(2R,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-1,2,6b,9,9,12a-hexamethyl-4a-[oxo-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]methyl]-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid IUPAC Name: (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,2,6b,9,9,12a-hexamethyl-4a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid Traditional Name: (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1,2,6b,9,9,12a-hexamethyl-4a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxycarbonyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid Formula: C47H74O18 MolecularWeight: 927.07966

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C)O)OC7C(C(C(CO7)O)O)O)O)C)C)C2C1C)C(=O)O)C(=O)OC8C(C(C(C(O8)CO)O)O)O

Isomeric SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O[C@@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)C)C)[C@@H]2[C@H]1C)C(=O)O)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O

InChI

InChI=1S/C47H74O18/c1-20-10-15-46(42(59)65-39-35(55)33(53)32(52)25(18-48)62-39)16-17-47(41(57)58)23(29(46)21(20)2)8-9-27-44(6)13-12-28(43(4,5)26(44)11-14-45(27,47)7)63-40-36(56)37(30(50)22(3)61-40)64-38-34(54)31(51)24(49)19-60-38/h8,20-22,24-40,48-56H,9-19H2,1-7H3,(H,57,58)/t20-,21+,22+,24-,25-,26+,27-,28+,29+,30+,31+,32-,33+,34-,35-,36-,37-,38-,39+,40+,44+,45-,46+,47-/m1/s1