Spektraris NMR
Phanginin A
Common Name: Phanginin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O5/c1-12-13-4-5-17-20(18(22)24-2)7-3-8-21(17,19(23)26-11-20)15(13)10-16-14(12)6-9-25-16/h6,9,12-13,15,17,19,23H,3-5,7-8,10-11H2,1-2H3/t12-,13+,15+,17+,19-,20+,21+/m1/s1
InChIKey: InChIKey=FBOCRPKLWNKMFW-YCBSRJOKSA-N
Formula: C21H28O5
Molecular Weight: 360.44482
Exact Mass: 360.193674
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) | 37.8 |
| 2 (CH2) | 20.9 |
| 3 (CH2) | 35.5 |
| 4 (C) | 45.6 |
| 5 (CH) | 45.2 |
| 6 (CH2) | 23.5 |
| 7 (CH2) | 29.6 |
| 8 (CH) | 36.6 |
| 9 (CH) | 42.6 |
| 10 (C) | 38.6 |
| 11 (CH2) | 22.5 |
| 12 (C) | 149.5 |
| 13 (C) | 122.4 |
| 14 (CH) | 31.5 |
| 15 (CH) | 109.8 |
| 16 (CH) | 140.3 |
| 17 (CH3) | 16.8 |
| 18 (C) | 175.8 |
| 19 (CH2) | 61.6 |
| 20 (CH) | 97.2 |
| 18a (CH3) | 51.5 |
