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Molecule
(-)-Eburnamonine
CAS: 4880-88-0 · C19H22N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4880-88-0
- Molecular Formula
- C19H22N2O
- Molecular Mass
- 294.40 g/mol
Identifiers
CAS Registry Number
4880-88-0
SMILES
CC[C@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@@H]32
InChI Key
WYJAPUKIYAZSEM-MOPGFXCFSA-N
InChI
InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1
Names and Synonyms
- (-)-Eburnamonine Synonym
- Eburnamenin-14(15H)-one, (3α,16α)- Synonym
- Vincamone Synonym
- 1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine, eburnamenin-14(15H)-one deriv. Synonym
- (3α,16α)-Eburnamenin-14(15H)-one Synonym
- (3α,16α)-Eburnamonine Synonym
- (-)-Eburnamonine Synonym
- (-)-Vincamone Synonym
- l-Eburnamonine Synonym
- cis-Vincamone Synonym
- (-)-cis-Eburnamonine Synonym
- Eburnal Ritardo Synonym
- Vinburnine Synonym
- 16-Oxoeburnane Synonym
- Cervoxan Synonym
- CH 846 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 294.40 g/mol | CAS Common Chemistry |
| 294.3980000000001 g/mol | RDKit | |
| 294.398 g/mol | RDKit | |
| 295.406 g/mol | chempirical lib | |
| Canonical SMILES | O=C1N2C=3C=CC=CC3C4=C2C5N(CC4)CCCC5(C1)CC | CAS Common Chemistry |
| InChI | InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WYJAPUKIYAZSEM-MOPGFXCFSA-N | CAS Common Chemistry |
| Melting Point | 168-170 °C | CAS Common Chemistry |
| Name | (-)-Eburnamonine | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| 2 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 25.240000000000002 Ų | RDKit |
| 25.24 Ų | RDKit | |
| LogP | 3.774600000000003 | RDKit |
| 3.7746 | RDKit | |
| 3.87 | chempirical lib | |
| Molar Refractivity | 87.15750000000004 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5263 | RDKit |
| Exact Mass | 294.17321332399996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 294.40 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H22N2O.
