Temisin
Basic information
- CAS
5212-23-7- Standard SMILES
C=CC1(C)CC(O)C2C(C)C(=O)OC2C1C(=C)C- InChIKey
SHOVXNQCIIOQBN-UHFFFAOYSA-N- Molecular formula
- C15H22O3
- Average molar mass
- 250.33 g/mol
- Monoisotopic mass
- 250.15689456
Overview
Temisin has been reported in Artemisia tenuisecta with data available.
Names & identifiers
- Preferred name
- Temisin
- IUPAC
- 6-ethenyl-4-hydroxy-3,6-dimethyl-7-prop-1-en-2-yl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one
Names & synonyms
Temisin5212-23-7DTXSID60966476NSC258306NSC-25830667151-76-26-Ethenyl-4-hydroxy-3,6-dimethyl-7-(prop-1-en-2-yl)hexahydro-1-benzofuran-2(3H)-one
Database identifiers
- CAS
5212-23-7、67151-76-2- PubChem CID
- 429557
- DTXSID
DTXSID60966476
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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