Spektraris NMR
Przewanoic acid B
Common Name: Przewanoic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O4/c1-16-18-6-8-26(4)20-7-9-28(24(32)33)11-10-25(2,3)15-22(28)29(20)13-17(29)12-21(26)27(18,5)14-19(30)23(16)31/h7,17-19,21-23,30-31H,1,6,8-15H2,2-5H3,(H,32,33)/t17-,18+,19-,21+,22-,23+,26+,27+,28-,29-/m1/s1
InChIKey: InChIKey=BFOAWZGRXLZRCM-XWIYUPEGSA-N
Formula: C29H42O4
Molecular Weight: 454.642472
Exact Mass: 454.30831
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang N., Niwa M., Luo H.W. Phytochemistry (1988) 27, 299
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxeranes; 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 (CH2) | 42.3 |
| 2 (CH) | 69.2 |
| 3 (CH) | 75.5 |
| 4 (C) | 150.2 |
| 5 (CH) | 45.1 |
| 6 (CH2) | 20.4 |
| 7 (CH2) | 36.7 |
| 8 (C) | 37.9 |
| 9 (CH) | 44.9 |
| 10 (C) | 37.2 |
| 11 (CH2) | 20.1 |
| 12 (CH) | 14.6 |
| 13 (C) | 23.4 |
| 14 (C) | 156.4 |
| 15 (CH) | 117.8 |
| 16 (CH2) | 30.6 |
| 17 (C) | 52.8 |
| 18 (CH) | 34.5 |
| 19 (CH2) | 35.4 |
| 20 (C) | 28.8 |
| 21 (CH2) | 33.8 |
| 22 (CH2) | 32.3 |
| 23 (CH2) | 111.3 |
| 25 (CH3) | 14.5 |
| 26 (CH3) | 29.3 |
| 27 (CH2) | 11.3 |
| 28 (C) | 180.9 |
| 29 (CH3) | 32.3 |
| 30 (CH3) | 22.1 |
