CTK3E9384
[(1R,3S,4R,5R,7S,8R,9R,12S,13S,14S)-4,13-diacetyloxy-8-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl] 2-methylbut-2-enoate
Also Known As: 2-Butenoic acid, 2-methyl-, (1aR,2R,3S,4aR,6S,7S,7aS,8E,10R,11R,11aS)-2,7-bis(acetyloxy)-1,1a,2,3,4,6,7,10,11,11a-decahydro-11-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-4a,7a-epoxy-5H-cyclopenta(a)cyclopropa(f)cycloundecen-10-yl ester, (2E)-
| Molecular Formula | C29H40O9 |
|---|---|
| Molecular Weight | 532.2672 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 532.2672 |
| Monoisotopic Mass | 532.2672 |
| Heavy Atoms | 38 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 82513-30-2 |
|---|---|
| SMILES | CC=C(C)C(=O)O[C@H]1[C@@H]([C@H]2[C@H](C2(C)C)[C@H]([C@@H](C(=O)[C@@]34C[C@@H]([C@@H]([C@@]3(O4)C=C1C)OC(=O)C)C)C)OC(=O)C)O |
| InChIKey | JCDHPWIMRDHSED-IXFMRCLWSA-N |
Product Overview
CTK3E9384 (CAS 82513-30-2), with molecular formula C29H40O9 and molecular weight 532.2672 g/mol. IUPAC: [(1R,3S,4R,5R,7S,8R,9R,12S,13S,14S)-4,13-diacetyloxy-8-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl] 2-methylbut-2-enoate.
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