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

Systemtic Name: [(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1R,2R,4aS,6aS,12aR)-10-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,2,6a,9,9,12a-hexamethyl-1-oxidanyl-3,4,5,6,6a,6b,7,8,8a,10,11,12,13,14b-tetradecahydro-2H-picene-4a-carboxylate Openeye Name: [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1R,2R,4aS,6aS,12aR)-1-hydroxy-1,2,6a,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,4,5,6,6a,6b,7,8,8a,10,11,12,13,14b-tetradecahydro-2H-picene-4a-carboxylate CAS Name: (1R,2R,4aS,6aS,12aR)-1-hydroxy-1,2,6a,9,9,12a-hexamethyl-10-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4,5,6,6a,6b,7,8,8a,10,11,12,13,14b-tetradecahydro-2H-picene-4a-carboxylic acid [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aS,12aR)-1-hydroxy-1,2,6a,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6,6a,6b,7,8,8a,10,11,12,13,14b-tetradecahydro-2H-picene-4a-carboxylate Traditional Name: (1R,2R,4aS,6aS,12aR)-1-hydroxy-1,2,6a,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3,4,5,6,6a,6b,7,8,8a,10,11,12,13,14b-tetradecahydro-2H-picene-4a-carboxylic acid [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester Formula: C41H66O14 MolecularWeight: 782.95434

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCC3(C4CCC5C(C(CCC5(C4CC=C3C2C1(C)O)C)OC6C(C(C(C(O6)CO)O)O)O)(C)C)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O

Isomeric SMILES

C[C@@H]1CC[C@@]2(CC[C@]3(C4CCC5[C@@](C4CC=C3C2[C@]1(C)O)(CCC(C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

InChI

InChI=1S/C41H66O14/c1-19-11-14-41(36(50)55-35-32(49)30(47)28(45)24(18-43)53-35)16-15-38(4)20-9-10-25-37(2,3)26(54-34-31(48)29(46)27(44)23(17-42)52-34)12-13-39(25,5)21(20)7-8-22(38)33(41)40(19,6)51/h8,19-21,23-35,42-49,51H,7,9-18H2,1-6H3/t19-,20?,21?,23-,24-,25?,26?,27-,28-,29+,30+,31-,32-,33?,34+,35+,38+,39-,40-,41+/m1/s1