Spektraris NMR
Bis(isosteviol) Ethylenediamide
Common Name: Bis(isosteviol) Ethylenediamide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H64N2O4/c1-35-17-9-29-37(3)13-7-15-39(5,27(37)11-19-41(29,25-35)23-31(35)45)33(47)43-21-22-44-34(48)40(6)16-8-14-38(4)28(40)12-20-42-24-32(46)36(2,26-42)18-10-30(38)42/h27-30H,7-26H2,1-6H3,(H,43,47)(H,44,48)/t27-,28-,29-,30-,35-,36-,37+,38+,39+,40+,41-,42-/m0/s1
InChIKey: InChIKey=CPTABRCHUUKFOE-WEMXIJQMSA-N
Formula: C42H64N2O4
Molecular Weight: 660.970222
Exact Mass: 660.486609
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Lin, L.H., Lee, L.W., Sheu, S.Y., Lin, P.Y. Chem Pharm Bull (2004) 52, 1117-22
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) | 40.3 |
| 2 (CH2) | 19.9 |
| 3 (CH2) | 38.3 |
| 4 (C) | 43.8 |
| 5 (CH) | 57.6 |
| 6 (CH2) | 22.7 |
| 7 (CH2) | 41.9 |
| 8 (C) | 39.6 |
| 9 (CH) | 54.7 |
| 10 (C) | 38.3 |
| 11 (CH2) | 20.6 |
| 12 (CH2) | 37.5 |
| 13 (C) | 48.6 |
| 14 (CH2) | 54.2 |
| 15 (CH2) | 48.6 |
| 16 (C) | 220.8 |
| 17 (CH3) | 20.3 |
| 18 (CH3) | 30.2 |
| 19 (C) | 177.9 |
| 20 (CH3) | 13.8 |
| 1' (CH2) | 40.3 |
| 2' (CH2) | 19.9 |
| 3' (CH2) | 38.3 |
| 4' (C) | 43.8 |
| 5' (CH) | 57.6 |
| 6' (CH2) | 22.7 |
| 7' (CH2) | 41.9 |
| 8' (C) | 39.6 |
| 9' (CH) | 54.7 |
| 10' (C) | 38.3 |
| 11' (CH2) | 20.6 |
| 12' (CH2) | 37.5 |
| 13' (C) | 48.6 |
| 14' (CH2) | 54.2 |
| 15' (CH2) | 48.6 |
| 16' (C) | 220.8 |
| 17' (CH3) | 20.3 |
| 18' (CH3) | 30.2 |
| 19' (C) | 177.9 |
| 20' (CH3) | 13.8 |
| 1'' (CH2) | 41.1 |
| 2'' (CH2) | 41.1 |
