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(-)-Eburnamonine
CAS: 4880-88-0 | C19H22N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4880-88-0
Molecular Formula:
C19H22N2O
Molecular Mass:
294.40 g/mol
Names and Synonyms:
(-)-Eburnamonine
Eburnamenin-14(15H)-one, (3α,16α)-
Vincamone
1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine, eburnamenin-14(15H)-one deriv.
(3α,16α)-Eburnamenin-14(15H)-one
(3α,16α)-Eburnamonine
(-)-Eburnamonine
(-)-Vincamone
l-Eburnamonine
cis-Vincamone
(-)-cis-Eburnamonine
Eburnal Ritardo
Vinburnine
16-Oxoeburnane
Cervoxan
CH 846
Identifiers:
SMILES:
CC[C@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@@H]32
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
Key Properties
Melting Point
168-170 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 294.40 g/mol | CAS Common Chemistry |
| 294.3980000000001 g/mol | RDKit | |
| 294.17321332399996 g/mol | RDKit | |
| 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 |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 25.240000000000002 Ų | RDKit |
| LogP | 3.774600000000003 | RDKit |
| Molar Refractivity | 87.15750000000004 | RDKit |
