Home
Current usage is:
Registered Users: 1466
Structures: 43502
Spectra: Measured 52287, calculated 549
Username:
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
60004953
Chemical name(s)(3R,3'R)-3alpha,3'alpha-Dibenzyl-5aalpha,5a'alpha,6,6',11,11',11aalpha,11a'alpha-octahydro-10balpha,10b'alpha-bi[10bH-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole]-1,1',4,4'(2H,2'H,3H,3'H)-tetraone; Asperflocin
Chemical formulaC40H36N6O4
Molecular weight664.753
Number of double bond equivalents (DBEs)26.0
Number of all rings, size of smallest set of smallest rings22, 10
Canonical name(s)
CAS-Number
Additional information
Links from Unichem:
Molecule keywords
DOI
13C Spectrum
60004069 Rating: 7 (7: 7: nmrshiftdb2 quality check: accept/reliability: good (admin))
Type13C
Measurement conditions
Temperature [K]298
SolventDimethylsulphoxide-D6 (DMSO-D6, C2D6SO)
Field Strength [MHz]150.0
Assignment MethodHSQC, HMBC, COSY, ROESY
Literature Zhi-You Su; Fan Yang; Li Liu; Bin-Bin Gu; Fan Sun; Shu-Ping Wang; Wei-hua Jiao; Lei Li; Yu-Han Gui; Hou-Wen Lin: A new asymmetric diketopiperazine dimer from the sponge‐associated fungus Aspergillus versicolor 16F‐11, in: Magnetic Resonance in Chemistry, vol. 57/2018, pp. 49 - 54 (DOI: 10.1002/mrc.4780)
Additional comments
nmrshiftdb2 quality report Download
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 1H 600.0
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
4-H
24-H
2-H br s 4.83
5-H m 7.06
6-H td 6.59
7-H m 7.0
8-H d 6.65
11-H br t 4.03
12-H dd;dd 2.23, 2.82
14-H s 7.75
15-H br t 4.21
17-H m 2.97
19-H m 7.13
20-H m 7.06
21-H m 7.06
22-H m 7.06
23-H m 7.13
2'-H br s 4.83
5'-H d 7.21
6'-H td 6.63
7'-H m 7.13
8'-H d 6.74
11'-H dd 1.83
12'-H t;m 2.15, 2.25
14'-H d 8.10
15'-H m 3.99
17'-H dd;dd 2.74, 3.01
19'-H m 7.01
20'-H m 6.85
21'-H m 6.84
22'-H m 6.85
23'-H m 7.01






Report incorrect data
Copy molecule link
 
     


nmrshiftdb2 (V. 1.4.14, nmrshiftdb.nmr.uni-koeln.de, currently 30 users, 2205964 since 2010-12-14 23:09:00.0) © NMRShiftDB project 2002-2010, © Stefan Kuhn 2010 - 2019.