3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate
Basic information
- CAS
35191-42-5- Standard SMILES
CC(=O)OC1CC2(CO2)C2CC3OC3(C)C2C2OC(=O)C(C)C12- InChIKey
GUPJMHQKUBEDJH-UHFFFAOYSA-N- Molecular formula
- C17H22O6
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.14163842
Names & identifiers
- Preferred name
- 3',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate
- IUPAC
- (5,14-dimethyl-4-oxospiro[3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecane-9,2'-oxirane]-7-yl) acetate
Names & synonyms
35191-42-5NSC180029DTXSID80306815NSC180028NSC-180028NSC-1800293',8a'-dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate3',8'a-Dimethyl-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl acetate
Database identifiers
- CAS
35191-42-5- PubChem CID
- 301778
- DTXSID
DTXSID80306815
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 604
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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