Basic information
- CAS
72926-12-6- Standard SMILES
CC(C)=CC(=O)NC1=CC(=O)[C@]2(C)[C@@H]3O[C@@H]3[C@H](C)N12- InChIKey
UARXZADXFDTXOF-OKVQYTGBSA-N- Molecular formula
- C14H18N2O3
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.13174244
Overview
Bohemamine is a member of pyrrolizines.
Names & identifiers
- Preferred name
- Bohemamine
- IUPAC
- N-[(1S,2S,4R,5S)-1,5-dimethyl-9-oxo-3-oxa-6-azatricyclo[4.3.0.02,4]non-7-en-7-yl]-3-methylbut-2-enamide
- English name
- bohemamine
- Molecular formula
- C14H18N2O3
- Molecular weight
- 262.3
Names & synonyms
Bohemamine72926-12-6N-[(1S,2S,4R,5S)-1,5-dimethyl-9-oxo-3-oxa-6-azatricyclo[4.3.0.02,4]non-7-en-7-yl]-3-methylbut-2-enamideDTXSID809937042-Butenamide, 3-methyl-N-(1a,6,6a,6b-tetrahydro-2,6a-dimethyl-6-oxo-2H-oxireno(a)pyrrolizin-4-yl)-, (1aalpha,2beta,6aalpha,6balpha)-N-((1S,2S,4R,5S)-1,5-dimethyl-9-oxo-3-oxa-6-azatricyclo(4.3.0.02,4)non-7-en-7-yl)-3-methylbut-2-enamideRefChem:120863DTXCID601420746CHEMBL518391orb1992299CHEBI:201280N-((1AR,2S,6aS,6bS)-2,6a-dimethyl-6-oxo-1a,6,6a,6b-tetrahydro-2H-oxireno[2,3-a]pyrrolizin-4-yl)-3-methylbut-2-enamide
Show more names
2-Butenamide, 3-methyl-N-[(1aR,2S,6aS,6bS)-1a,6,6a,6b-tetrahydro-2,6a-dimethyl-6-oxo-2H-oxireno[a]pyrrolizin-4-yl]-, rel-
T124317N-[(1aR,2S,6aS,6bS)-2,6a-Dimethyl-6-oxo-1a,6,6a,6b-tetrahydro-2H-oxireno[a]pyrrolizin-4-yl]-3-methylbut-2-enamide
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 533
Physicochemical properties
- Melting point
- 196 · 196-198 °C(Solv: chloroform (67-66-3))
- Boiling point
- 474.2 · 474.2±45.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 17.15 · 17.15±0.60(Predicted)
- CAS DataBase Reference
- 72926 · 72926-12-6
Chemistry & industry
Applications
OccurrenceA fungal metabolite, bohemamine occurs in cultures of Actinosporangiurn strain C36145. It yields colourless needles when purified by recrystallization from EtOH.
Suppliers3 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
武汉丽合智造生物科技有限公司18971458902 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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