Spektraris NMR
Echinophyllin C
Common Name: Echinophyllin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H29NO3/c1-13-7-10-20(3)15(18(23)24)5-4-6-16(20)19(13,2)11-8-14-9-12-21-17(14)22/h5,9,13,16H,4,6-8,10-12H2,1-3H3,(H,21,22)(H,23,24)/t13-,16-,19+,20+/m1/s1
InChIKey: InChIKey=SMVIBINEORXRIL-MPRPZVOOSA-N
Formula: C20H29N1O3
Molecular Weight: 331.449958
Exact Mass: 331.214744
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kobayashi, J., Sekiguchi, M., Shimamoto, S., Shigemori, H., Ohsaki, A. J Nat Prod (2000) 63, 1576-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 19.5 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 134.9 |
| 4 (C) | 141.7 |
| 5 (C) | 39.4 |
| 6 (CH2) | 38.5 |
| 7 (CH2) | 28 |
| 8 (CH) | 38.2 |
| 9 (C) | 40.7 |
| 10 (CH) | 48.8 |
| 11 (CH2) | 38.4 |
| 12 (CH2) | 20.7 |
| 13 (C) | 147.4 |
| 14 (CH) | 140.4 |
| 15 (CH2) | 48.6 |
| 16 (C) | 177.7 |
| 17 (CH3) | 17.2 |
| 18 (C) | 174.9 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 19.5 |
