Basic information
- CAS
71386-83-9- Standard SMILES
CC12C=CC3(CCC4C(C)(C)C(O[N+](=O)[O-])C(=O)CC4(C)C3CC1=O)C2- InChIKey
XJPKYQVUPSTXRE-UHFFFAOYSA-N- Molecular formula
- C20H27NO5
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.18892296
Names & identifiers
- Preferred name
- 2,12-Dioxobeyer-15-en-3-yl nitrate
- IUPAC
- (5,5,9,13-tetramethyl-7,12-dioxo-6-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl) nitrate
Names & synonyms
71386-83-92,12-dioxobeyer-15-en-3-yl nitrateNSC157038DTXSID60303160NSC-157038
Database identifiers
- CAS
71386-83-9- PubChem CID
- 291685
- DTXSID
DTXSID60303160
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 737
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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