AC1MHKZR
(4-ethenyl-3-hydroxy-2,4,7,12-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl) 2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyacetate
Also Known As: A 4014A|6-Ethenyl-5-hydroxy-4,6,9,12-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl (beta-D-xylopyranosyloxy)acetate|6-Ethenyl-5-hydroxy-4,6,9,12-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl (pentopyranosyloxy)acetate|Acetic acid, (beta-D-xylopyranosyloxy)-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3ah-cyclopentacycloocten-8-yl ester, (3aS-(3a-alpha,4-beta,5-alpha,6-alpha,8-beta,9-beta,9a-beta,10S*))-
| Molecular Formula | C27H42O9 |
|---|---|
| Molecular Weight | 510.2829 g/mol |
| LogP | 1.3485 |
| Topological Polar Surface Area | 142.75 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 510.2829 |
| Monoisotopic Mass | 510.2829 |
| Heavy Atoms | 36 |
| Complexity | 877.30566 |
Chemical Identifiers
| CAS Number | 69659-06-9 |
|---|---|
| SMILES | CC1CCC2(C(CC(C(C(C13C2C(=O)CC3)C)O)(C)C=C)OC(=O)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)C |
Product Overview
AC1MHKZR (CAS 69659-06-9), with molecular formula C27H42O9 and molecular weight 510.2829 g/mol. IUPAC: (4-ethenyl-3-hydroxy-2,4,7,12-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl) 2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyacetate.
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