Basic information
- CAS
4976-25-4- Standard SMILES
C=C(C)[C@H]1Cc2cc(C(C)=O)ccc2O1- InChIKey
UVYUUQGGBNKRFU-CYBMUJFWSA-N- Molecular formula
- C13H14O2
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.09937969
Overview
Tremetone is a member of benzofurans.
Names & identifiers
- Preferred name
- Tremetone
- IUPAC
- 1-[(2R)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]ethanone
- English name
- (-)-Tremetone
- Molecular formula
- C13H14O2
- Molecular weight
- 202.25
Names & synonyms
TremetoneTremeton4976-25-4451MA27V7HDTXSID501031865NSC-2475311-[(2R)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]ethanoneEthanone, 1-(2,3-dihydro-2-(1-methylethenyl)-5-benzofuranyl)-, (R)-1-((2R)-2-isopropenyl-2,3-dihydrobenzofuran-5-yl)ethanone1-[(2R)-2-isopropenyl-2,3-dihydrobenzofuran-5-yl]ethanone1-((2R)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanoneRefChem:190733
Show more names
NSC2475315-Acetyl-2β-isopropenyl-2,3-dihydrobenzofuran(2R)-2-Isopropenyl-5-acetyl-2,3-dihydrobenzofuran(2R)-2,3-Dihydro-2-isopropenyl-5-acetylbenzofuranEthanone, 1-[(2R)-2,3-dihydro-2-(1-methylethenyl)-5-benzofuranyl]-
DTXCID701516869(-)-TremetoneAC1L2VQMAC1Q5GF9UNII-451MA27V7HNSC 247531TREMETONE [MI]AI3-44563
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- alpha
- 28 · D28 -59.6° (c = 5.52 in absolute ethanol)
- Boiling point
- 337.7 · 337.7±42.0 °C(Predicted)
- Density
- 428 · d428 1.080
- refractive index
- 25 · nD25 1.5658
- FDA UNII
- 451 MA27V7H · 451MA27V7H
Chemistry & industry
Applications
UsesTremetone is a major component of the Chilean Altiplano medicine Parastrephia lepidophylla that exhibits morphine-like analgesic properties. A toxic chemical substance that causes trembles in livestock and milk sickness in humans.
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Tremetone is a member of benzofurans.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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