Spektraris NMR
Echinophyllin D
Common Name: Echinophyllin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H37NO4/c1-19-11-14-28(3)23(26(32)33)5-4-6-24(28)27(19,2)15-12-21-17-25(31)29(18-21)16-13-20-7-9-22(30)10-8-20/h5,7-10,17,19,24,30H,4,6,11-16,18H2,1-3H3,(H,32,33)/t19-,24-,27+,28+/m1/s1
InChIKey: InChIKey=FIFBPJURVPRVLF-MLXWKZDWSA-N
Formula: C28H37N1O4
Molecular Weight: 451.598776
Exact Mass: 451.272259
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) | 18.7 |
| 2 (CH2) | 28.5 |
| 3 (CH) | 130.5 |
| 4 (C) | 148 |
| 5 (C) | 37.7 |
| 6 (CH2) | 37.6 |
| 7 (CH2) | 27.7 |
| 8 (CH) | 37.4 |
| 9 (C) | 39.9 |
| 10 (CH) | 47.7 |
| 11 (CH2) | 38.5 |
| 12 (CH2) | 21.4 |
| 13 (C) | 148 |
| 14 (CH) | 121.1 |
| 15 (C) | 174.2 |
| 16 (CH2) | 56.8 |
| 17 (CH3) | 16.4 |
| 18 (C) | 173 |
| 19 (CH3) | 23.9 |
| 20 (CH3) | 20 |
| 16a (CH2) | 45.1 |
| 16b (CH2) | 34.9 |
| 16c (C) | 130.8 |
| 16d (CH) | 116.2 |
| 16e (CH) | 130.7 |
| 16f (C) | 157.3 |
| 16g (CH) | 130.7 |
| 16h (CH) | 116.2 |
