Basic information
- CAS
70680-71-6- Standard SMILES
CC(C)=C1C[C@@H]2O[C@@]2(C)CC/C=C(\C)CC1=O- InChIKey
DWGVRYKQVZGSIB-NCKTXVJMSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Overview
(1S,6E,10S)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-6-en-4-one has been reported in Curcuma aromatica, Curcuma zedoaria, and other organisms with data available.
Names & identifiers
- Preferred name
- (1S,10S,E)-6,10-dimethyl-3-(propan-2-ylidene)-11-oxabicyclo[8.1.0]undec-6-en-4-one
- IUPAC
- (1S,6E,10S)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-6-en-4-one
Names & synonyms
Germacrone 4,5-epoxide92691-35-5(1S,10S,E)-6,10-dimethyl-3-(propan-2-ylidene)-11-oxabicyclo[8.1.0]undec-6-en-4-one(+)-Germacrone-4,5-epoxide(4S,5S)-Germacrone-4,5-epoxide(1S,6E,10S)-6,10-dimethyl-3-(propan-2-ylidene)-11-oxabicyclo[8.1.0]undec-6-en-4-onegermacrone-4,5-epoxideorb1682501CHEMBL4211912HY-N8402TN4130AKOS026674272
Show more names
CS-0144081
Database identifiers
- CAS
70680-71-6、92691-35-5- PubChem CID
- 11637239
- ChEMBL
CHEMBL4211912- Nikkaji
- J503.850B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…