Spektraris NMR
Bis(steviol) Ethylenediamide
Common Name: Bis(steviol) Ethylenediamide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H64N2O4/c1-27-23-39-17-9-29-35(3,31(39)11-19-41(27,47)25-39)13-7-15-37(29,5)33(45)43-21-22-44-34(46)38(6)16-8-14-36(4)30(38)10-18-40-24-28(2)42(48,26-40)20-12-32(36)40/h29-32,47-48H,1-2,7-26H2,3-6H3,(H,43,45)(H,44,46)/t29-,30-,31-,32-,35+,36+,37+,38+,39+,40+,41-,42-/m0/s1
InChIKey: InChIKey=VRGNDGQDTWVFHA-FRKORQCBSA-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 : Kauranes; 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) | 41.2 |
| 2 (CH2) | 20.1 |
| 3 (CH2) | 38.4 |
| 4 (C) | 43.9 |
| 5 (CH) | 57.7 |
| 6 (CH2) | 22.9 |
| 7 (CH2) | 41.9 |
| 8 (C) | 42.1 |
| 9 (CH) | 54.3 |
| 10 (C) | 39.8 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 40.8 |
| 13 (C) | 79.8 |
| 14 (CH2) | 47.5 |
| 15 (CH2) | 48.2 |
| 16 (C) | 157.8 |
| 17 (CH2) | 103 |
| 18 (CH3) | 30.2 |
| 19 (C) | 178 |
| 20 (CH3) | 16.1 |
| 1' (CH2) | 41.2 |
| 2' (CH2) | 20.1 |
| 3' (CH2) | 38.4 |
| 4' (C) | 43.9 |
| 5' (CH) | 57.7 |
| 6' (CH2) | 22.9 |
| 7' (CH2) | 41.9 |
| 8' (C) | 42.1 |
| 9' (CH) | 54.3 |
| 10' (C) | 39.8 |
| 11' (CH2) | 20.8 |
| 12' (CH2) | 40.8 |
| 13' (C) | 79.8 |
| 14' (CH2) | 47.5 |
| 15' (CH2) | 48.2 |
| 16' (C) | 157.8 |
| 17' (CH2) | 103 |
| 18' (CH3) | 30.2 |
| 19' (C) | 178 |
| 20' (CH3) | 16.1 |
| 1'' (CH2) | 41.1 |
| 2'' (CH2) | 41.1 |
