Platycodigenin,methyl ester
methyl (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: PLATYCODIGENIN,METHYL ESTER|Methyl 3beta-(hexopyranosyloxy)-2beta,16alpha,23,24-tetrahydroxyolean-12-en-28-oate|methyl (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
| Molecular Formula | C37H60O12 |
|---|---|
| Molecular Weight | 696.40845 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 696.40845 |
| Monoisotopic Mass | 696.40845 |
| Heavy Atoms | 49 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 38308-47-3 |
|---|---|
| SMILES | C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)O)C)(C[C@@H]([C@@H](C3(CO)CO)OC6C(C(C(C(O6)CO)O)O)O)O)C |
| InChIKey | MUVOHCCQVMWBML-VXIFPYLMSA-N |
Product Overview
Platycodigenin,methyl ester (CAS 38308-47-3), with molecular formula C37H60O12 and molecular weight 696.40845 g/mol. IUPAC: methyl (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
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