Spektraris NMR
Echinophyllin E
Common Name: Echinophyllin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H46N2O6/c1-23-14-16-34(3)26(32(40)41)8-7-9-29(34)33(23,2)17-15-25-21-31(39)36(22-25)19-6-5-18-35-30(38)13-11-24-10-12-27(37)28(20-24)42-4/h8,10-13,20-21,23,29,37H,5-7,9,14-19,22H2,1-4H3,(H,35,38)(H,40,41)/b13-11+/t23-,29-,33+,34+/m1/s1
InChIKey: InChIKey=JVBPDKGCYMOBFJ-JNLVQPRNSA-N
Formula: C34H46N2O6
Molecular Weight: 578.740211
Exact Mass: 578.335587
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) | 19.3 |
| 2 (CH2) | 28.8 |
| 3 (CH) | 139.1 |
| 4 (C) | 142.9 |
| 5 (C) | 38.3 |
| 6 (CH2) | 37.9 |
| 7 (CH2) | 28.8 |
| 8 (CH) | 35.4 |
| 9 (C) | 38.4 |
| 10 (CH) | 48.9 |
| 11 (CH2) | 38.2 |
| 12 (CH2) | 21.9 |
| 13 (C) | 142.8 |
| 14 (CH) | 122 |
| 15 (C) | 172.1 |
| 16 (CH2) | 49.8 |
| 17 (CH3) | 17 |
| 18 (C) | 172.1 |
| 19 (CH3) | 19.3 |
| 20 (CH3) | 17.1 |
| 16a (CH2) | 40.9 |
| 16b (CH2) | 29.2 |
| 16c (CH2) | 29.2 |
| 16d (CH2) | 38.4 |
| 16e (C) | 165.1 |
| 16f (CH) | 117.3 |
| 16g (CH) | 140.3 |
| 16h (C) | 125.5 |
| 16i (CH) | 112.4 |
| 16j (C) | 145.3 |
| 16k (C) | 146.3 |
| 16l (CH) | 112.4 |
| 16m (CH) | 122 |
| 16n (CH3) | 57.2 |
