10-alpha-H-Ambros-11(13)-en-12-oic acid, 1,6-beta-dihydroxy-4-oxo-, gamma-lactone
Basic information
- CAS
2571-81-5- Standard SMILES
C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@]1(O)CCC(=O)[C@@]21C- InChIKey
GEUJJEYGSRWXPC-DYDIJXKYSA-N- Molecular formula
- C15H20O4
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.13615911
Overview
See also: Coronopilin (annotation moved to).
Names & identifiers
- Preferred name
- 10-alpha-H-Ambros-11(13)-en-12-oic acid, 1,6-beta-dihydroxy-4-oxo-, gamma-lactone
- IUPAC
- (3aS,6S,6aS,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione
Names & synonyms
CoronopolinNSC 8524210-alpha-H-Ambros-11(13)-en-12-oic acid, 1,6-beta-dihydroxy-4-oxo-, gamma-lactoneAzuleno(4,5-b)furan-2,9-dione, decahydro-6a-hydroxy-6,9a-dimethyl-3-methylene-, (3aS-(3aalpha,6beta,6aalpha,9abeta,9balpha))-
Database identifiers
- CAS
2571-81-5- PubChem CID
- 17387
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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