Basic information
- CAS
25941-24-6- Standard SMILES
C=C1C(=O)OC2C=C(C)C3C(O)CC(C)(O)C3CC12- InChIKey
VNPALOJXXXSTCR-UHFFFAOYSA-N- Molecular formula
- C15H20O4
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.13615911
Overview
Halshalin has been reported in Baileya pleniradiata with data available.
Names & identifiers
- Preferred name
- 5,7-Dihydroxy-5,8-dimethyl-3-methylidene-3a,4,4a,5,6,7,7a,9a-octahydroazuleno[6,5-b]furan-2(3H)-one
- IUPAC
- 6,8-dihydroxy-5,8-dimethyl-1-methylidene-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
Names & synonyms
DTXSID80948855NSC219897NSC-2198975,7-Dihydroxy-5,8-dimethyl-3-methylidene-3a,4,4a,5,6,7,7a,9a-octahydroazuleno[6,5-b]furan-2(3H)-one
Database identifiers
- CAS
25941-24-6- PubChem CID
- 311978
- DTXSID
DTXSID80948855- Nikkaji
- J18.231A
Properties
Computed structural properties
- XLogP
- 0.7
- 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
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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