Spektraris NMR
Phanginin J
Common Name: Phanginin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O5/c1-13-14-4-5-18-20(11-22,16(14)10-17-15(13)6-9-26-17)7-3-8-21(18,12-23)19(24)25-2/h6,9,11-14,16,18H,3-5,7-8,10H2,1-2H3/t13-,14+,16+,18-,20+,21+/m1/s1
InChIKey: InChIKey=LJLAEZBPAANDEF-UJYBSYEXSA-N
Formula: C21H26O5
Molecular Weight: 358.428938
Exact Mass: 358.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yodsaoue, O., Cheenpracha, S., Karalai, C., Ponglimanont, C., Chantrapromma, S., Fun, H.K., Kanjana-Opas, A. Phytochemistry (2008) 69, 1242-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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) | 31.8 |
| 2 (CH2) | 19 |
| 3 (CH2) | 30.6 |
| 4 (C) | 60.7 |
| 5 (CH) | 48.1 |
| 6 (CH2) | 23 |
| 7 (CH2) | 31.1 |
| 8 (CH) | 36.8 |
| 9 (CH) | 44.1 |
| 10 (C) | 50.8 |
| 11 (CH2) | 23.2 |
| 12 (C) | 147.8 |
| 13 (C) | 122.4 |
| 14 (CH) | 31.4 |
| 15 (CH) | 109.4 |
| 16 (CH) | 140.8 |
| 17 (CH3) | 17.1 |
| 18 (C) | 173.1 |
| 19 (CH) | 198.5 |
| 20 (CH) | 206.2 |
| 18a (CH3) | 52.7 |
