Cinnamosmolide B812927K029
Basic information
- CAS
23599-46-4- Standard SMILES
CC(=O)OC1C=C2C(=O)OCC2(O)C2(C)CCCC(C)(C)C12- InChIKey
PSJFPRLDKNCZGQ-UHFFFAOYSA-N- Molecular formula
- C17H24O5
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.16237386
Names & identifiers
- Preferred name
- Cinnamosmolide B812927K029
- IUPAC
- (9b-hydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl) acetate
Names & synonyms
NSC277292SCHEMBL15557098CINNAMOSMOLIDE B812927K029NSC-277292[5R,(-)]-5-Acetoxy-5,5aalpha,6,7,8,9,9a,9b-octahydro-9balpha-hydroxy-6,6,9abeta-trimethylnaphtho[1,2-c]furan-3(1H)-oneNaphtho[1,2-c]furan-3(1H)-one, 5-(acetyloxy)-5,5a,6,7,8,9,9a,9b-octahydro-9b-hydroxy-6,6,9a-trimethyl-, (5R,5aS,9aS,9bS)-
Database identifiers
- CAS
23599-46-4- PubChem CID
- 99943
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 563
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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