Bohlmann 188
Basic information
- CAS
54878-99-8- Standard SMILES
Cc1coc2c1[C@H]1OC(=O)C3=CCC[C@H](C2)[C@@]31C- InChIKey
KROCVIWNITXTIQ-PKPZWWHKSA-N- Molecular formula
- C15H16O3
- Average molar mass
- 244.28 g/mol
- Monoisotopic mass
- 244.10994437
Names & identifiers
- Preferred name
- Bohlmann 188
- IUPAC
- (1S,8R,15S)-3,15-dimethyl-5,14-dioxatetracyclo[6.6.1.02,6.012,15]pentadeca-2(6),3,11-trien-13-one
Names & synonyms
NSC31730054878-99-8BOHLMANN 188DTXSID50317519NSC-317300(5aR,9bS,9cS)-9,9c-Dimethyl-4,5,5a,6,9b,9c-hexahydro-2H-naphtho[2,3-b:4,5-b'c']difuran-2-one
Database identifiers
- CAS
54878-99-8- PubChem CID
- 330233
- DTXSID
DTXSID50317519
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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