Cas no 31944-97-5 (chondrofoline)
chondrofoline structure
Product Name:chondrofoline
CAS No:31944-97-5
MF:C37H40N2O6
MW:608.723310470581
CID:309439
PubChem ID:72941542
Update Time:2025-04-19
chondrofoline Chemical and Physical Properties
Names and Identifiers
-
- chondrofoline
- (1R)-6,6',7'-Trimethoxy-2,2'-dimethyltubocuraran-12'-ol
- (1R,1'R)-6,6',7'-Trimethoxy-2,2'-dimethyltubocuraran-12'-ol
- O7-Methylcurine
- (1b)-6,6',7'-Trimethoxy-2,2'-dimethyltubocuraran-12'-ol; (R,R)-7-O-Methylbebeerine; 31944-97-5; 7-O-Methylcurine; Chondrofoline
- CHONDROFOLINE [MI]
- TUBOCURARAN-12'-OL, 6,6',7'-TRIMETHOXY-2,2'-DIMETHYL-, (1.BETA.)-
- UNII-34U28X989Y
- (R,R)-(-)-Chondrofoline
- 31944-97-5
- 34U28X989Y
- Q27256395
- Tubocuraran-12'-ol, 6,6',7'-trimethoxy-2,2'-dimethyl-, (1beta)-
- 13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido(3',2':14,15)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolin-9-ol, 2,3,13a,14,15,16,25,25a-octahydro-18,19,29-trimethoxy-1,14-dimethyl-, (13aR,25aR)-
- racemosidine B
-
- Inchi： 1S/C37H40N2O6/c1-38-14-12-24-20-32(42-4)34-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(19-30(40)36(37)43-5)13-15-39(2)29(35)17-23-8-11-31(41-3)33(18-23)45-34/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m1/s1
- InChI Key： DQFIZQYILFTDPW-FQLXRVMXSA-N
- SMILES： O1C2C=CC(=CC=2)C[C@@H]2C3C=C(C(=CC=3CCN2C)OC)OC2C(=CC=C(C=2)C[C@@H]2C3C1=C(C(=CC=3CCN2C)O)OC)OC
Computed Properties
- Exact Mass: 608.28863700g/mol
- Monoisotopic Mass: 608.28863700g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 45
- Rotatable Bond Count: 3
- Complexity: 963
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.3
- Topological Polar Surface Area: 72.9?2
Experimental Properties
- Density: 1.204
- Melting Point: about 135°
- Boiling Point: 707°Cat760mmHg
- Flash Point: 381.4°C
- Refractive Index: 1.602
- Specific Rotation: 205461 -281° (0.1N HCl)
chondrofoline Related Literature
-
J. Baldas,I. R. C. Bick,Q. N. Porter,M. J. Vernengo J. Chem. Soc. D 1971 132
-
2. 137. Curare alkaloids. Part V. Alkaloids of some Chondrodendron species and the origin of radix pareir? brav?Harold King J. Chem. Soc. 1940 737
-
3. 367. Structural correlations in the nuclear magnetic resonance spectra of bisbenzylisoquinoline and aporphine alkaloidsI. R. C. Bick,J. Harley-Mason,N. Sheppard,M. J. Vernengo J. Chem. Soc. 1961 1896
-
4. 485. Tertiary bases from Chondrodendron tomentosumI. R. C. Bick,P. S. Clezy J. Chem. Soc. 1960 2402
-
Kenneth W. Bentley Nat. Prod. Rep. 2002 19 332
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