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Basic information
- CAS
54267-49-1- Standard SMILES
CC(C)C1OC(=O)C=C2C3(C)CCCC4(C)C(=O)OC(C43)C3OC213- InChIKey
CBWGBTDKXAPUMY-UHFFFAOYSA-N- Molecular formula
- C19H24O5
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.16237386
Names & identifiers
- Preferred name
- Nagilactone F,8-epoxy-
- IUPAC
- 10,14-dimethyl-5-propan-2-yl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione
Names & synonyms
NAGILACTONE F,8-EPOXY-DTXSID40969288NSC306213NSC-3062135b,8a-Dimethyl-2-(propan-2-yl)-5b,6,7,8,8a,8b,10a,10b-octahydro-2H,4H,9H-furo[2',3',4':4,5]oxireno[2,3]naphtho[2,1-c]pyran-4,9-dione
Database identifiers
- CAS
54267-49-1- PubChem CID
- 100002
- DTXSID
DTXSID40969288
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 696
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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