Spektraris NMR
Gouanic acid B
Common Name: Gouanic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O5/c1-17(2)18-8-11-28(23(31)32)14-15-29(24(33)34)19(22(18)28)6-7-21-26(4)13-12-25(3,16-30)20(26)9-10-27(21,29)5/h12-13,18-22,30H,1,6-11,14-16H2,2-5H3,(H,31,32)(H,33,34)/t18-,19+,20-,21+,22+,25+,26-,27+,28-,29+/m0/s1
InChIKey: InChIKey=YWHFOZBOULBASE-WNPXDVAASA-N
Formula: C29H42O5
Molecular Weight: 470.641877
Exact Mass: 470.303224
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tabapda, T.K., Liu, J., Ngadjui, B.T., Luu, B. Planta Med (2007) 73, 376-80
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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 (CH) | 136.6 |
| 3 (CH) | 142.7 |
| 4 (C) | 51.4 |
| 5 (CH) | 62.9 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.8 |
| 8 (C) | 41.7 |
| 9 (CH) | 51.9 |
| 10 (C) | 50.9 |
| 11 (CH2) | 23.5 |
| 12 (CH2) | 26.2 |
| 13 (CH) | 40 |
| 14 (C) | 60 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 37.5 |
| 17 (C) | 56.9 |
| 18 (CH) | 48.6 |
| 19 (CH) | 47.4 |
| 20 (C) | 151 |
| 21 (CH2) | 30.8 |
| 22 (CH2) | 38.6 |
| 23 (CH3) | 24.2 |
| 24 (CH2) | 66.4 |
| 25 (CH3) | 18.9 |
| 26 (CH3) | 18.2 |
| 27 (C) | 178.2 |
| 28 (C) | 177.7 |
| 29 (CH2) | 110.3 |
| 30 (CH3) | 20.7 |
