Spektraris NMR
SCHEMBL12362712
Common Name: SCHEMBL12362712
Synonyms: SCHEMBL12362712
CAS Registry Number:
InChI: InChI=1S/C24H30O4/c1-17(2)6-5-7-18(3)14-21(25)15-19(4)12-13-27-22-10-8-20-9-11-24(26)28-23(20)16-22/h6,8-12,14,16,21,25H,5,7,13,15H2,1-4H3/b18-14+,19-12+
InChIKey: InChIKey=IANTXARIIJNAIU-CXMCYAQISA-N
Formula: C24H30O4
Molecular Weight: 382.493504
Exact Mass: 382.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Tagliapietra, S., Nano, G.M., Jakupovic, J. Phytochemistry (1994) 35, 183-6
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Farnesanes; 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) | 65.1 |
| 2 (CH) | 121.7 |
| 3 (C) | 138.9 |
| 4 (CH2) | 47.6 |
| 5 (CH) | 66.3 |
| 6 (CH) | 127 |
| 7 (C) | 138.8 |
| 8 (CH2) | 39.4 |
| 9 (CH2) | 26.3 |
| 10 (CH) | 123.8 |
| 11 (C) | 131.7 |
| 12 (CH3) | 25.6 |
| 13 (CH3) | 17.6 |
| 14 (CH3) | 16.6 |
| 15 (CH3) | 17.1 |
| 2' (C) | 161.2 |
| 3' (CH) | 112.9 |
| 4' (CH) | 147.4 |
| 5' (CH) | 128.7 |
| 6' (CH) | 113.1 |
| 7' (C) | 161.9 |
| 8' (CH) | 101.5 |
| 9' (C) | 155.8 |
| 10' (C) | 112.4 |
