Baileyolin
(4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) 2-methylbut-2-enoate
Also Known As: Baileyolin|NCI60_002160|(4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) 2-methylbut-2-enoate|2-Butenoic acid,2-methyl-,(3S,3aS,4S,4aR,- 7aS,8S,9R,9aS)-2,3,3a,4,4a,5,7a,8,9,9adecahydro- 9-hydroxy-3,4a,8-trimethyl-2,5- dioxoazuleno[6,5-b]furan-4-yl ester,(2Z)-
| Molecular Formula | C20H26O6 |
|---|---|
| Molecular Weight | 362.17294 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.17294 |
| Monoisotopic Mass | 362.17294 |
| Heavy Atoms | 26 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 6995-10-4 |
|---|---|
| SMILES | CC=C(C)C(=O)OC1C2C(C(=O)OC2C(C(C3C1(C(=O)C=C3)C)C)O)C |
| InChIKey | NOASRRBRAULRFQ-UHFFFAOYSA-N |
Product Overview
Baileyolin (CAS 6995-10-4), with molecular formula C20H26O6 and molecular weight 362.17294 g/mol. IUPAC: (4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) 2-methylbut-2-enoate.
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