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(+)-Isocorydine
CAS: 475-67-2 | C20H23NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
475-67-2
Molecular Formula:
C20H23NO4
Molecular Mass:
341.41 g/mol
Names and Synonyms:
(+)-Isocorydine
4H-Dibenzo[de,g]quinolin-11-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (6aS)-
Isocorydine
6aα-Aporphin-11-ol, 1,2,10-trimethoxy-
4H-Dibenzo[de,g]quinolin-11-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (S)-
(6aS)-5,6,6a,7-Tetrahydro-1,2,10-trimethoxy-6-methyl-4H-dibenzo[de,g]quinolin-11-ol
Luteanine
d-Isocorydine
L-(+)-Isocorydine
(+)-(S)-Isocorydine
Luteanin
Luteanine (aporphine)
(S)-(+)-Isocorydine
(+)-Isocorydine
NSC 32979
Identifiers:
SMILES:
COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3
InChI:
InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1
Key Properties
Melting Point
185 °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 | 341.41 g/mol | CAS Common Chemistry |
| 341.40700000000015 g/mol | RDKit | |
| 341.16270821600006 g/mol | RDKit | |
| Canonical SMILES | OC=1C(OC)=CC=C2C1C=3C(OC)=C(OC)C=C4C3C(N(C)CC4)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QELDJEKNFOQJOY-ZDUSSCGKSA-N | CAS Common Chemistry |
| Melting Point | 185 °C | CAS Common Chemistry |
| Name | (+)-Isocorydine | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 51.160000000000004 Ų | RDKit |
| LogP | 3.1701000000000015 | RDKit |
| Molar Refractivity | 95.97780000000006 | RDKit |
