Spektraris NMR
Picrasine B
Common Name: Picrasine B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O6/c1-9-6-13(22)19(25)21(4)11(9)7-14-20(3)12(8-15(23)27-14)10(2)17(26-5)16(24)18(20)21/h9,11-14,18,22H,6-8H2,1-5H3/t9-,11+,12+,13+,14-,18+,20-,21+/m1/s1
InChIKey: InChIKey=GESOKLRVLMVNMO-WCAPFRRUSA-N
Formula: C21H28O6
Molecular Weight: 376.444225
Exact Mass: 376.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hamburger, M., Cordell, G. Planta Med (1988) 0, 352
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Picrasanes; 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 |
|---|---|
| 1 (C) | 211.6 |
| 2 (CH) | 68.39 |
| 3 (CH2) | 46.38 |
| 4 (CH) | 46.29 |
| 5 (CH) | 27.02 |
| 6 (CH2) | 25 |
| 7 (CH) | 80.23 |
| 8 (C) | 35.34 |
| 9 (CH) | 46.01 |
| 10 (C) | 47.27 |
| 11 (C) | 189.9 |
| 12 (C) | 140.12 |
| 13 (C) | 146.52 |
| 14 (CH) | 44.93 |
| 15 (CH2) | 30.24 |
| 16 (C) | 167.87 |
| 17 (CH3) | 21.32 |
| 18 (CH3) | 14.4 |
| 19 (CH3) | 13.77 |
| 28 (CH3) | 17.53 |
| 12a (CH3) | 58.15 |
