Basic information
- CAS
19888-11-0- Standard SMILES
C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)CC[C@@H]12- InChIKey
GDAPCCXIJOBGFV-LZQGXPBISA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Names & identifiers
- Preferred name
- Tamaulipin A
- IUPAC
- (3aS,6E,8S,10E,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
Names & synonyms
Tamaulipin ACHEMBL505577DTXSID20110925919888-11-0(3aS,6E,8S,10E,11aR)-3a,4,5,8,9,11a-Hexahydro-8-hydroxy-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one
Database identifiers
- CAS
19888-11-0- PubChem CID
- 5281502
- DTXSID
DTXSID201109259- ChEMBL
CHEMBL505577- Nikkaji
- J38.681B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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