Spektraris NMR
Echinodolide A
Common Name: Echinodolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-14(2)17-11-10-15(3)7-5-8-16-9-6-12-20(4,22)18(13-17)23-19(16)21/h7,9,13-14,18,22H,5-6,8,10-12H2,1-4H3/b15-7+,16-9-,17-13+/t18-,20+/m0/s1
InChIKey: InChIKey=YQPCUQLZJRRTCQ-SVTYQPQESA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shigemori, H., Shimamoto, S., Sekiguchi, M., Ohsaki, A., Kobayashi, J. J Nat Prod (2002) 65, 82-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (C) | 154.5 |
| 2 (CH) | 115.7 |
| 3 (CH) | 78.2 |
| 4 (C) | 73.7 |
| 5 (CH2) | 33.5 |
| 6 (CH2) | 24.8 |
| 7 (CH) | 135.3 |
| 8 (C) | 129.1 |
| 9 (CH2) | 37.3 |
| 10 (CH2) | 24.1 |
| 11 (CH) | 125.6 |
| 12 (C) | 136.8 |
| 13 (CH2) | 36.7 |
| 14 (CH2) | 32.3 |
| 15 (CH) | 32.6 |
| 16 (CH3) | 24.1 |
| 17 (CH3) | 23.9 |
| 18 (CH3) | 23.9 |
| 19 (C) | 171.3 |
| 20 (CH3) | 20.9 |
