Spektraris NMR
Phanginin I
Common Name: Phanginin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O4/c1-13-14-5-6-18-20(2,19(23)24-3)8-4-9-21(18,12-22)16(14)11-17-15(13)7-10-25-17/h7,10,12-14,16,18H,4-6,8-9,11H2,1-3H3/t13-,14+,16+,18+,20-,21+/m1/s1
InChIKey: InChIKey=BLIFHPAPEJACQS-MHRIIPBRSA-N
Formula: C21H28O4
Molecular Weight: 344.445415
Exact Mass: 344.198759
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) | 31.9 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 36.6 |
| 4 (C) | 51.4 |
| 5 (CH) | 49.9 |
| 6 (CH2) | 23.1 |
| 7 (CH2) | 30.8 |
| 8 (CH) | 36.7 |
| 9 (CH) | 44.3 |
| 10 (C) | 47.3 |
| 11 (CH2) | 23 |
| 12 (C) | 148.2 |
| 13 (C) | 122.3 |
| 14 (CH) | 31.5 |
| 15 (CH) | 109.4 |
| 16 (CH) | 140.7 |
| 17 (CH3) | 16.9 |
| 18 (C) | 178.2 |
| 19 (CH3) | 15.8 |
| 20 (CH) | 208.4 |
| 18a (CH3) | 52 |
