Spektraris NMR
Phanginin D
Common Name: Phanginin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-13-14-5-6-18-21(16(14)11-17-15(13)7-10-26-17)8-4-9-22(18,19(23)24-2)20(25-3)27-12-21/h7,10,13-14,16,18,20H,4-6,8-9,11-12H2,1-3H3/t13-,14+,16+,18-,20+,21+,22+/m1/s1
InChIKey: InChIKey=QWJSPZRTYDZCNG-ZYSXITOGSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
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) | 38.4 |
| 2 (CH2) | 21.1 |
| 3 (CH2) | 36.2 |
| 4 (C) | 49.7 |
| 5 (CH) | 44.2 |
| 6 (CH2) | 23.8 |
| 7 (CH2) | 30.7 |
| 8 (CH) | 37 |
| 9 (CH) | 42 |
| 10 (C) | 36 |
| 11 (CH2) | 22.5 |
| 12 (C) | 149 |
| 13 (C) | 122.2 |
| 14 (CH) | 31.6 |
| 15 (CH) | 109.6 |
| 16 (CH) | 140.5 |
| 17 (CH3) | 17.2 |
| 18 (C) | 174.9 |
| 19 (CH) | 102.6 |
| 20 (CH2) | 62.7 |
| 18a (CH3) | 51.5 |
| 19a (CH3) | 55.5 |
