Spektraris NMR
Leucophyllin A
Common Name: Leucophyllin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O9/c1-11-15-8-16(33-12(2)27)20-25(7)17(30)9-18(34-13(3)28)24(5,6)21(25)19(31)23(35-14(4)29)26(20,10-15)22(11)32/h15-18,20-21,23,30H,1,8-10H2,2-7H3/t15-,16+,17+,18+,20+,21-,23+,25+,26+/m1/s1
InChIKey: InChIKey=IHIQZUIHDLSEJE-FYHXSELJSA-N
Formula: C26H34O9
Molecular Weight: 490.543763
Exact Mass: 490.220283
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) | 32.4 |
| 3 (CH) | 77.5 |
| 4 (C) | 35 |
| 5 (CH) | 51.7 |
| 6 (C) | 205.8 |
| 7 (CH) | 80.1 |
| 8 (C) | 52.9 |
| 9 (CH) | 55.1 |
| 10 (C) | 50.2 |
| 11 (CH) | 69.8 |
| 12 (CH2) | 36.8 |
| 13 (CH) | 35.6 |
| 14 (CH2) | 33.1 |
| 15 (C) | 201.8 |
| 16 (C) | 149.7 |
| 17 (CH2) | 113 |
| 18 (CH3) | 25.6 |
| 19 (CH3) | 21.4 |
| 20 (CH3) | 14.1 |
| 3a (C) | 169.6 |
| 3b (CH3) | 20.6 |
| 7a (C) | 169.6 |
| 7b (CH3) | 20.2 |
| 11a (C) | 169.2 |
| 11b (CH3) | 20.1 |
