Spektraris NMR
Lihsienin A
Common Name: Lihsienin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O7/c1-5-29-11-15-14-9-16(31-13(2)25)17-22-8-6-7-21(3,4)18(22)20(27)24(28,30-12-22)23(17,10-14)19(15)26/h14-18,20,27-28H,5-12H2,1-4H3/t14-,15-,16-,17+,18-,20+,22-,23+,24+/m1/s1
InChIKey: InChIKey=FIEDHVOXTHQKJW-BCWHGROPSA-N
Formula: C24H36O7
Molecular Weight: 436.539363
Exact Mass: 436.246104
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, W.W., Li, B.G., Chen, Y.Z. Phytochemistry (1998) 49, 2433-5
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 (CH2) | 30.2 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 41.6 |
| 4 (C) | 34.1 |
| 5 (CH) | 61.6 |
| 6 (CH) | 74.8 |
| 7 (C) | 96 |
| 8 (C) | 60.4 |
| 9 (CH) | 53.4 |
| 10 (C) | 37.1 |
| 11 (CH) | 68.9 |
| 12 (CH2) | 28.5 |
| 13 (CH) | 29.1 |
| 14 (CH2) | 29.7 |
| 15 (C) | 223.5 |
| 16 (CH) | 57.6 |
| 17 (CH2) | 67 |
| 18 (CH3) | 34.2 |
| 19 (CH3) | 22.5 |
| 20 (CH2) | 68.6 |
| 11a (C) | 170 |
| 11b (CH3) | 21.7 |
| 17a (CH2) | 66.7 |
| 17b (CH3) | 15.4 |
