Basic information
- CAS
129138-11-0- Standard SMILES
C=C1CC[C@@H](O)[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@]12O- InChIKey
CJLHTKGWEUGORV-UVGOUCATSA-N- Molecular formula
- C15H22O4
- Average molar mass
- 266.33 g/mol
- Monoisotopic mass
- 266.15180918
Overview
(-)-Isogallicadiol has been reported in Artemisia maritima and Artemisia pontica with data available.
Names & identifiers
- Preferred name
- Isogallicadiol
- IUPAC
- (3S,3aS,5aS,6R,9aS,9bS)-6,9a-dihydroxy-3,5a-dimethyl-9-methylidene-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one
Names & synonyms
IsogallicadiolRefChem:67864129138-11-0(-)-IsogallicadiolDTXSID709263046,9a-dihydroxy-3,5a-dimethyl-9-methylidenedecahydronaphtho[1,2-b]furan-2(3H)-one(3S,3aS,5aS,6R,9aS,9bS)-6,9a-dihydroxy-3,5a-dimethyl-9-methylidenedecahydronaphtho[1,2-b]furan-2(3H)-one
Database identifiers
- CAS
129138-11-0- PubChem CID
- 180482
- DTXSID
DTXSID70926304- Nikkaji
- J616.663F
Properties
Computed structural properties
- XLogP
- 1.1
- 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
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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