Back to Search
Corynoline
CAS: 18797-79-0 | C21H21NO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18797-79-0
Molecular Formula:
C21H21NO5
Molecular Mass:
367.40 g/mol
Names and Synonyms:
Corynoline
[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-5b,13-dimethyl-, (5bR,6S,12bR)-
Corynoline
Chelidonine, 13-methyl-
[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine, chelidonine deriv.
(5bR,6S,12bR)-5b,6,7,12b,13,14-Hexahydro-5b,13-dimethyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol
(+)-Corynoline
[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-5b,13-dimethyl-, [5bR-(5bα,6β,12bα)]-
Identifiers:
SMILES:
CN1Cc2c(ccc3c2OCO3)[C@@]2(C)[C@@H](O)Cc3cc4c(cc3[C@@H]12)OCO4
InChI:
InChI=1S/C21H21NO5/c1-21-14-3-4-15-19(27-10-24-15)13(14)8-22(2)20(21)12-7-17-16(25-9-26-17)5-11(12)6-18(21)23/h3-5,7,18,20,23H,6,8-10H2,1-2H3/t18-,20+,21-/m0/s1
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 | 367.40 g/mol | CAS Common Chemistry |
| 367.4010000000001 g/mol | RDKit | |
| 367.141972772 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Corynoline | CAS Common Chemistry |
| Canonical SMILES | OC1CC2=CC=3OCOC3C=C2C4N(C)CC5=C6OCOC6=CC=C5C14C | CAS Common Chemistry |
| InChI | InChI=1S/C21H21NO5/c1-21-14-3-4-15-19(27-10-24-15)13(14)8-22(2)20(21)12-7-17-16(25-9-26-17)5-11(12)6-18(21)23/h3-5,7,18,20,23H,6,8-10H2,1-2H3/t18-,20+,21-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IQUGPRHKZNCHGC-TYPHKJRUSA-N | CAS Common Chemistry |
| Name | (+)-Corynoline | CAS Common Chemistry |
| Corynoline | CAS Common Chemistry | |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 60.390000000000015 Ų | RDKit |
| LogP | 2.5054000000000007 | RDKit |
| Molar Refractivity | 96.40080000000005 | RDKit |
