Spektraris NMR
Leucophyllin C
Common Name: Leucophyllin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O8/c1-10-13-7-14(27)18-23(6)15(28)8-16(31-11(2)25)22(4,5)19(23)17(29)21(32-12(3)26)24(18,9-13)20(10)30/h13-16,18-21,27-28,30H,1,7-9H2,2-6H3/t13-,14+,15+,16+,18+,19-,20-,21+,23+,24+/m1/s1
InChIKey: InChIKey=RNCWFRSZPTUDNL-KIIHINSDSA-N
Formula: C24H34O8
Molecular Weight: 450.522887
Exact Mass: 450.225368
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Liao, X., Ding, L.S., Peng, S.L. Phytochemistry (1998) 47, 247-50
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 (CH) | 75.1 |
| 2 (CH2) | 32.8 |
| 3 (CH) | 78.2 |
| 4 (C) | 35.7 |
| 5 (CH) | 53.5 |
| 6 (C) | 207.3 |
| 7 (CH) | 79.1 |
| 8 (C) | 50.8 |
| 9 (CH) | 53.1 |
| 10 (C) | 48.2 |
| 11 (CH) | 64.6 |
| 12 (CH2) | 42.6 |
| 13 (CH) | 37.9 |
| 14 (CH2) | 33 |
| 15 (CH) | 83.8 |
| 16 (C) | 158.6 |
| 17 (CH2) | 106.1 |
| 18 (CH3) | 26.5 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 14.2 |
| 3a (C) | 169.8 |
| 3b (CH3) | 20.3 |
| 7a (C) | 169.5 |
| 7b (CH3) | 20.2 |
