[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1S,4aR,6aS,6bR,9S,10S,11R,12aR,14bS)-2,2,6b,9,12a-pentamethyl-1,9,10,11-tetrakis(oxidanyl)-3,4,5,6,6a,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate

Systemtic Name: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1S,4aR,6aS,6bR,9S,10S,11R,12aR,14bS)-2,2,6b,9,12a-pentamethyl-1,9,10,11-tetrakis(oxidanyl)-3,4,5,6,6a,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate Openeye Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1S,4aR,6aS,6bR,9S,10S,11R,12aR,14bS)-1,9,10,11-tetrahydroxy-2,2,6b,9,12a-pentamethyl-3,4,5,6,6a,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate CAS Name: (1S,4aR,6aS,6bR,9S,10S,11R,12aR,14bS)-1,9,10,11-tetrahydroxy-2,2,6b,9,12a-pentamethyl-3,4,5,6,6a,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aS,6bR,9S,10S,11R,12aR,14bS)-1,9,10,11-tetrahydroxy-2,2,6b,9,12a-pentamethyl-3,4,5,6,6a,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate Traditional Name: (1S,4aR,6aS,6bR,9S,10S,11R,12aR,14bS)-1,9,10,11-tetrahydroxy-2,2,6b,9,12a-pentamethyl-3,4,5,6,6a,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester Formula: C34H54O11 MolecularWeight: 638.78596

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CCC3C(=CCC4C3(CCC5C4(CC(C(C5(C)O)O)O)C)C)C2C1O)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C

Isomeric SMILES

C[C@@]12CCC3[C@@]([C@H]1CC=C4C2CC[C@@]5([C@H]4[C@@H](C(CC5)(C)C)O)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C[C@H]([C@@H]([C@@]3(C)O)O)O)C

InChI

InChI=1S/C34H54O11/c1-30(2)12-13-34(29(42)45-28-25(39)24(38)23(37)19(15-35)44-28)11-8-17-16(22(34)27(30)41)6-7-20-31(17,3)10-9-21-32(20,4)14-18(36)26(40)33(21,5)43/h6,17-28,35-41,43H,7-15H2,1-5H3/t17?,18-,19-,20+,21?,22-,23-,24+,25-,26+,27+,28+,31+,32-,33+,34-/m1/s1