Spektraris NMR
Pisuminic Acid
Common Name: Pisuminic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O6/c1-17-5-3-6-18(2,16(24)25)14(17)13(22)15(23)19-8-11(9-21)20(26,10-19)7-4-12(17)19/h11-15,21-23,26H,3-10H2,1-2H3,(H,24,25)/t11-,12-,13-,14-,15-,17-,18+,19-,20?/m0/s1
InChIKey: InChIKey=WHDLMOXOLKSOFZ-SUSKLAJKSA-N
Formula: C20H32O6
Molecular Weight: 368.465252
Exact Mass: 368.219889
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Murakami, T., Kohno, K., Matsuda, H., Yoshikawa, M. Chem Pharm Bull (2001) 49, 73-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 41.2 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 40.6 |
| 4 (C) | 44.7 |
| 5 (CH) | 52.1 |
| 6 (CH) | 72.1 |
| 7 (CH) | 82.7 |
| 8 (C) | 49.4 |
| 9 (CH) | 50.2 |
| 10 (C) | 41.2 |
| 11 (CH2) | 18.7 |
| 12 (CH2) | 27.4 |
| 13 (C) | 81.3 |
| 14 (CH2) | 51.3 |
| 15 (CH2) | 37 |
| 16 (CH) | 45.9 |
| 17 (CH2) | 66.5 |
| 18 (CH3) | 33.2 |
| 19 (C) | 181.2 |
| 20 (CH3) | 17.2 |
