rel-(+)-(3aR,4R,4aS,7aS,8S)-3a,4,4a,5,6,7,7a,8-Octahydro-4,7a-dihydroxy-6,6,8-trimethylazuleno[5,6-c]furan-1(3H)-one
Basic information
- CAS
72601-39-9- Standard SMILES
C[C@@H]1C=C2C(=O)OC[C@H]2[C@H](O)[C@H]2CC(C)(C)C[C@@]12O- InChIKey
VQGAZALZDFKYPA-GTZUYCOMSA-N- Molecular formula
- C15H22O4
- Average molar mass
- 266.33 g/mol
- Monoisotopic mass
- 266.15180918
Names & identifiers
- Preferred name
- rel-(+)-(3aR,4R,4aS,7aS,8S)-3a,4,4a,5,6,7,7a,8-Octahydro-4,7a-dihydroxy-6,6,8-trimethylazuleno[5,6-c]furan-1(3H)-one
- IUPAC
- (5R,5aR,8aR,9S,9aS)-5a,9-dihydroxy-5,7,7-trimethyl-5,6,8,8a,9,9a-hexahydro-1H-azuleno[5,6-c]furan-3-one
Names & synonyms
DTXSID00110613072601-39-9rel-(+)-(3aR,4R,4aS,7aS,8S)-3a,4,4a,5,6,7,7a,8-Octahydro-4,7a-dihydroxy-6,6,8-trimethylazuleno[5,6-c]furan-1(3H)-one
Database identifiers
- CAS
72601-39-9- PubChem CID
- 165367181
- DTXSID
DTXSID001106130
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 453
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Related reactions
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Compound notes
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