Spektraris NMR
18-Oxotryprostatin A
Common Name: 18-Oxotryprostatin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H25N3O4/c1-12(2)9-19(26)20-15(14-7-6-13(29-3)10-16(14)23-20)11-17-22(28)25-8-4-5-18(25)21(27)24-17/h6-7,9-10,17-18,23H,4-5,8,11H2,1-3H3,(H,24,27)/t17-,18-/m0/s1
InChIKey: InChIKey=UJAJXFUZWQQKAG-ROUUACIJSA-N
Formula: C22H24N3O4
Molecular Weight: 394.444617
Exact Mass: 394.176681
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, M., Wang, W.L., Fang, Y.C., Zhu, T.J., Gu, Q.Q., Zhu, W.M. J Nat Prod (2008) 71, 985-9
Species:
Notes: Family : Alkaloids, Type : Piperazines; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (C) | 133.6 |
| 3 (C) | 118.5 |
| 4 (CH) | 122.1 |
| 5 (CH) | 112.7 |
| 6 (C) | 159.8 |
| 7 (CH) | 93.6 |
| 8 (CH2) | 25.62 |
| 9 (CH) | 56.8 |
| 11 (C) | 169.5 |
| 12 (CH) | 59.1 |
| 13 (CH2) | 28.22 |
| 14 (CH2) | 22.62 |
| 15 (CH2) | 45.42 |
| 17 (C) | 165.6 |
| 18 (C) | 183.8 |
| 19 (CH) | 121.4 |
| 20 (C) | 158.2 |
| 21 (CH3) | 28.13 |
| 22 (CH3) | 21.43 |
| 3a (C) | 122.6 |
| 6a (CH3) | 55.53 |
| 7a (C) | 137.3 |
