Spektraris NMR
Ginsenoside Rg8
Common Name: Ginsenoside Rg8
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H70O14/c1-18(14-22(45)35-39(5,6)56-35)20-10-13-41(8)27(20)21(44)15-25-40(7)12-11-26(46)38(3,4)34(40)23(16-42(25,41)9)53-37-33(31(50)29(48)24(17-43)54-37)55-36-32(51)30(49)28(47)19(2)52-36/h14,19-37,43-51H,10-13,15-17H2,1-9H3/b18-14+/t19-,20+,21+,22?,23-,24+,25+,26-,27-,28-,29+,30+,31-,32+,33+,34-,35?,36-,37+,40+,41+,42+/m0/s1
InChIKey: InChIKey=VQDRNZFRMGXNDG-WUVNADLXSA-N
Formula: C42H70O14
Molecular Weight: 798.998429
Exact Mass: 798.476557
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Dou, D., Li, W., Guo, N., Fu, R., Pei, Y., Koike, K., Nikaido, T. Chem Pharm Bull (2006) 54, 751-3
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 39.7 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 78.4 |
| 4 (C) | 40 |
| 5 (CH) | 60.9 |
| 6 (CH) | 74.5 |
| 7 (CH2) | 46.2 |
| 8 (C) | 41.5 |
| 9 (CH) | 50.2 |
| 10 (C) | 39.5 |
| 11 (CH2) | 32.5 |
| 12 (CH) | 72.5 |
| 13 (CH) | 50.8 |
| 14 (C) | 51 |
| 15 (CH2) | 32.8 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 50.7 |
| 18 (CH3) | 17.2 |
| 19 (CH3) | 17.8 |
| 20 (C) | 143.1 |
| 21 (CH3) | 13.8 |
| 22 (CH) | 124.7 |
| 23 (CH) | 68.5 |
| 24 (CH) | 68.8 |
| 25 (C) | 58.5 |
| 26 (CH3) | 25.2 |
| 27 (CH3) | 20.1 |
| 28 (CH3) | 32.2 |
| 29 (CH3) | 17.6 |
| 30 (CH3) | 17 |
| 1' (CH) | 101.9 |
| 2' (CH) | 78.6 |
| 3' (CH) | 79.4 |
| 4' (CH) | 72.7 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 63.2 |
| 1'' (CH) | 101.9 |
| 2'' (CH) | 72.4 |
| 3'' (CH) | 72.3 |
| 4'' (CH) | 74.2 |
| 5'' (CH) | 69.5 |
| 6'' (CH3) | 18.8 |
