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

Systemtic Name: methyl (2R,3R,4S)-2-[[(2S,3R,4R,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4-(hydroxymethyl)-8a-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-2-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-6-carboxylate Openeye Name: methyl (2R,3R,4S)-2-[[(2S,3R,4R,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate CAS Name: (2R,3R,4S)-2-[[(2S,3R,4R,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[oxo-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]methyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid methyl ester IUPAC Name: methyl (2R,3R,4S)-2-[[(2S,3R,4R,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate Traditional Name: (2R,3R,4S)-2-[[(2S,3R,4R,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-4-methylol-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid methyl ester Formula: C43H66O15 MolecularWeight: 822.97514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H66O15/c1-38(2)12-14-43(37(53)58-36-32(51)31(50)30(49)26(19-44)56-36)15-13-41(5)21(22(43)17-38)8-9-28-39(3)18-24(47)33(40(4,20-45)27(39)10-11-42(28,41)6)57-35-29(48)23(46)16-25(55-35)34(52)54-7/h8,16,22-24,26-33,35-36,44-51H,9-15,17-20H2,1-7H3/t22-,23+,24+,26-,27-,28-,29-,30-,31+,32-,33+,35+,36+,39+,40+,41-,42-,43+/m1/s1