Tombozin
Basic information
- CAS
604-99-9- Standard SMILES
C/C=C1\CN2[C@H]3C[C@@H]1C(CO)[C@@H]2Cc1c3[nH]c2ccccc12- InChIKey
VXTDUGOBAOLMED-JBIYAAMQSA-N- Molecular formula
- C19H22N2O
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.17321333
Overview
normacusine B has been reported in Alstonia yunnanensis, Strychnos madagascariensis, and other organisms with data available.
Names & identifiers
- Preferred name
- Tombozin
- IUPAC
- [(1S,12S,14R,15Z)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
- English name
- (+)-Normacusine B
- Molecular formula
- C19H22N2O
- Molecular weight
- 294.39
Names & synonyms
Normacusine BVellosiminolTombozinUNII-8RD788YSD28RD788YSD2604-99-9124096-81-7((6S,7R,10R,11aS,Z)-9-ethylidene-5,6,8,9,10,11,11a,12-octahydro-6,10-methanoindolo[3,2-b]quinolizin-11-yl)methanolDA-67414TombozineVellosimolSarpagan-17-ol
Show more names
(+)-Normacusine B(+)-Normacusine B
Database identifiers
- CAS
604-99-9- PubChem CID
- 10469722
- Nikkaji
- J1.953.641F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 39.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 490
Physicochemical properties
- Melting point
- 270 · 270-2°C (245°C)
- Boiling point
- 472.7 · 472.7±45.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 14.79 · 14.79±0.10(Predicted)
- FDA UNII
- 8 RD788YSD2 · 8RD788YSD2
Chemistry & industry
Applications
DescriptionThis carboline alkaloid has been isolated from the stem bark of Strychnos nedeola and the trunk bark of Tabernaernontana brachyantha. The structure has been established on the basis of spectroscopic evidence.
UsesTombozine (Normacusine B) is a Sesquiterpenoids product that can be isolated from the leaves of Alpinia intermedia[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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