Basic information
- CAS
1898-13-1- Standard SMILES
CC1=C/C/C=C(\C)CC/C=C(\C)CC[C@@H](C(C)C)\C=C\1- InChIKey
DMHADBQKVWXPPM-QXIQWJTQSA-N- Molecular formula
- C20H32
- Average molar mass
- 272.5 g/mol
- Monoisotopic mass
- 272.25040102
Overview
Thunbergene has been reported in Picea glehnii, Larix lyallii, and other organisms with data available.
Names & identifiers
- Preferred name
- Npc44581
- IUPAC
- (1E,3Z,6E,10E,14S)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-1,3,6,10-tetraene
Names & synonyms
RefChem:1093182Npc44581Thunbergene(+)-CembreneThumbelene41F9848B-1F92-4929-BD50-32C995663B66
Database identifiers
- CAS
1898-13-1- PubChem CID
- 11747713
- Nikkaji
- J14.398G
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 402
Experimental & physicochemical properties
Melting Point58 - 59 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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