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Spectral Data   Additional Data   Download  
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)
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13C Spectrum
60004069 Rating: 7 (7: 7: nmrshiftdb2 quality check: accept/reliability: good (admin))
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).
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Spectral Data   Additional Data   Download  
Type: 1H 600.0
Mult.(coupling const.)
2'-H br s 4.83
2-H br s 4.83
5'-H d 7.21
5-H m 7.06
6'-H td 6.63
6-H td 6.59
7'-H m 7.13
7-H m 7.0
8'-H d 6.74
8-H d 6.65
11'-H dd 1.83
11-H br t 4.03
12'-H t;m 2.15, 2.25
12-H dd;dd 2.23, 2.82
14'-H d 8.10
14-H s 7.75
15'-H m 3.99
15-H br t 4.21
17'-H dd;dd 2.74, 3.01
17-H m 2.97
19'-H m 7.01
19-H m 7.13
20'-H m 6.85
20-H m 7.06
21'-H m 6.84
21-H m 7.06
22'-H m 6.85
22-H m 7.06
23'-H m 7.01
23-H m 7.13

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