TA Oic methyl ester
methyl 2-[(1S,2S,4S,8S,9S,11S,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoacetate
Also Known As: TA Oic methyl ester|AC1L1Y4A|Methyl (4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)(oxo)acetate|Methyl [(4aS,5S,6aS,6bS,9aS,10aS,10bS)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl](oxo)acetate|Methyl 2-[(1S,2S,4S,8S,9S,11S,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoacetate
| Molecular Formula | C25H31FO7 |
|---|---|
| Molecular Weight | 462.20538 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 462.20538 |
| Heavy Atoms | 33 |
| Complexity | 1016.2 |
Chemical Identifiers
| CAS Number | 53962-32-6 |
|---|---|
| SMILES | C[C@]12C[C@@H](C3([C@H]([C@@H]1C[C@H]4[C@]2(OC(O4)(C)C)C(=O)C(=O)OC)CCC5=CC(=O)C=C[C@@]53C)F)O |
Product Overview
TA Oic methyl ester (CAS 53962-32-6), with molecular formula C25H31FO7 and molecular weight 462.20538 g/mol. IUPAC: methyl 2-[(1S,2S,4S,8S,9S,11S,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoacetate.
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