Spektraris NMR
Gouanic acid A
Common Name: Gouanic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-17(2)19-9-12-29(24(32)33)13-14-30(25(34)35)20(23(19)29)7-8-22-27(30,5)11-10-21-26(3,4)15-18(16-31)28(21,22)6/h18-23,31H,1,7-16H2,2-6H3,(H,32,33)(H,34,35)/t18-,19-,20+,21-,22-,23+,27+,28-,29-,30+/m0/s1
InChIKey: InChIKey=HNQFXRQBVKRLFF-LSCXMKQFSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
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 |
|---|---|
| 1 (CH2) | 62.5 |
| 2 (CH) | 44.1 |
| 3 (CH2) | 42 |
| 4 (C) | 38.1 |
| 5 (CH) | 58 |
| 6 (CH2) | 19 |
| 7 (CH2) | 34.9 |
| 8 (C) | 41.2 |
| 9 (CH) | 52.1 |
| 10 (C) | 48.3 |
| 11 (CH2) | 23.6 |
| 12 (CH2) | 26.3 |
| 13 (CH) | 40.5 |
| 14 (C) | 60.1 |
| 15 (CH2) | 28.5 |
| 16 (CH2) | 37.5 |
| 17 (C) | 56.3 |
| 18 (CH) | 52.2 |
| 19 (CH) | 47.7 |
| 20 (C) | 150.9 |
| 21 (CH2) | 30.9 |
| 22 (CH2) | 37.9 |
| 23 (CH3) | 33.8 |
| 24 (CH3) | 26.7 |
| 25 (CH3) | 19.1 |
| 26 (CH3) | 17.9 |
| 27 (C) | 178.5 |
| 28 (C) | 178.1 |
| 29 (CH2) | 110.2 |
| 30 (CH3) | 20 |
