Anhydrolactarorufin A
(8aR,9S)-9-hydroxy-5,7,7-trimethyl-1,4,6,8,8a,9-hexahydroazuleno[5,6-c]furan-3-one
Also Known As: Anhydrolactarorufin A|anhydrolactafurin A|anhydro deconjugated lactarorufin A|(8aR,9S)-9-hydroxy-5,7,7-trimethyl-1,4,6,8,8a,9-hexahydroazuleno[5,6-c]furan-3-one|4-Hydroxy-6,6,8-trimethyl-4,4a,5,6,7,9-hexahydroazuleno[5,6-c]furan-1(3H)-one|(4S)-4,4abeta,5,6,7,9-Hexahydro-4beta-hydroxy-6,6,8-trimethylazuleno[5,6-c]furan-1(3H)-one|(4S,4AR)-4-HYDROXY-6,6,8-TRIMETHYL-1H,3H,4H,4AH,5H,6H,7H,9H-AZULENO[5,6-C]FURAN-1-ONE|(4S,4aR)-4-Hydroxy-6,6,8-trimethyl-4,4a,5,6,7,9-hexahydroazuleno[5,6-c]furan-1(3H)-one|Azuleno(5,6-c)furan-1(3H)-one, 4,4a,5,6,7,9-hexahydro-4-hydroxy-6,6,8-trimethyl-, (4S,4aR)-|Azuleno(5,6-c)furan-1(3H)-one, 4,4a,5,6,7,9-hexahydro-4-hydroxy-6,6,8-trimethyl-, (4S-cis)-
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14125 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.14125 |
| Monoisotopic Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 58757-92-9 |
|---|---|
| SMILES | CC1=C2CC(C[C@H]2[C@@H](C3=C(C1)C(=O)OC3)O)(C)C |
| InChIKey | NSTRZEDMEPEPFC-YPMHNXCESA-N |
Product Overview
Anhydrolactarorufin A (CAS 58757-92-9), with molecular formula C15H20O3 and molecular weight 248.14125 g/mol. IUPAC: (8aR,9S)-9-hydroxy-5,7,7-trimethyl-1,4,6,8,8a,9-hexahydroazuleno[5,6-c]furan-3-one.
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