Spektraris NMR
6-Methoxyspirotryprostatin B
Common Name: 6-Methoxyspirotryprostatin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H23N3O4/c1-12(2)9-18-22(14-7-6-13(29-3)10-15(14)23-21(22)28)11-17-19(26)24-8-4-5-16(24)20(27)25(17)18/h6-7,9-11,16,18H,4-5,8H2,1-3H3,(H,23,28)/t16-,18-,22-/m0/s1
InChIKey: InChIKey=UHQKDPCPFNXIDU-ZJBJCVSYSA-N
Formula: C22H23N3O4
Molecular Weight: 393.436676
Exact Mass: 393.168856
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) | 179 |
| 3 (C) | 61.4 |
| 4 (CH) | 128.4 |
| 5 (CH) | 107.1 |
| 6 (C) | 160.6 |
| 7 (CH) | 97.1 |
| 8 (CH) | 116.9 |
| 9 (C) | 137.9 |
| 11 (C) | 162.5 |
| 12 (CH) | 61.5 |
| 13 (CH2) | 29.2 |
| 14 (CH2) | 22.1 |
| 15 (CH2) | 44.8 |
| 17 (C) | 155.1 |
| 18 (CH) | 64 |
| 19 (CH) | 120.4 |
| 20 (C) | 138.3 |
| 21 (CH3) | 25.4 |
| 22 (CH3) | 18.3 |
| 3a (C) | 118.8 |
| 6a (CH3) | 55.5 |
| 7a (C) | 141.7 |
