Home
Current usage is:
Registered Users: 1188
Structures: 43445
Spectra: Measured 52107, calculated 549
Username:

Logon with SSL
Password:
Use cookies for persistant login
ImpressumProblems using nmrshiftdb2? See our tips on browsers to use !

  Home     Search     Results     Quick Check     Predict     Assignment     Submit     Review     Help  
  Search Results  
  You did not do a search!  
     
  Bookmarks  
  You could bookmark structures if you were logged in!  
     
  Details  
 



Spectral Data   Additional Data   Download  
Molecule
20042191
Chemical name(s)2,3-dimethoxystrychnidin-10-one; brucine
Chemical formulaC23H26N2O4
Molecular weight394.463
Number of double bond equivalents (DBEs)12.0
Number of all rings, size of smallest set of smallest rings67, 7
Canonical name(s)
CAS-Number 357-57-3
Additional information NCI Database; Deposition in PubChem; Brucine NMRanalyst Sample Application;
Links from Unichem: eMolecules;eMolecules;IBM strategic IP insight platform and the National Institutes of Health;SureChEMBL;PubChem Compounds;Mcule;ACToR;MolPort
Molecule keywords
13C Spectrum
30000511 Rating: 10
Type13C
Measurement conditions
Temperature [K]303
SolventChloroform-D1 (CDCl3)
Field Strength [MHz]125
Assignment MethodNMRanalyst
Literature
Additional comments
Additional information Brucine NMRanalyst Sample Application
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 1H 500
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
Intensity
1-H 1.30 0.07
2-H 3.84 0.1
3-H 3.17 0.3
4-H 4.30 0.03
6-H 2.39, 1.52 0.06;0.14
8-H 3.11, 2.65 0.06;0.05
9-H 4.16, 4.08 0.08;0.08
10-H 3.93 0.29
11-H 1.90 0.16
15-H 5.94 0.17
16-H 3.76, 2.79 0.12;0.13
17-H 3.26, 2.89 0.06;0.03
18-H 6.69 0.25
19-H 7.82 0.21
22-H 3.87 0.83
23-H 3.91 0.74






Report incorrect data
Copy molecule link
 
     


nmrshiftdb2 (V. 1.4.11, nmrshiftdb.nmr.uni-koeln.de, currently 29 users, 1595713 since 2010-12-14 23:09:00.0) © NMRShiftDB project 2002-2010, © Stefan Kuhn 2010 - 2017.