Spektraris NMR
20(S)-protopanaxatriol-6-O-a-L-rhamnopyranosyl (1-->2)-b-D-6'-O-acetylglucopyranoside
Common Name: 20(S)-protopanaxatriol-6-O-a-L-rhamnopyranosyl (1-->2)-b-D-6'-O-acetylglucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C44H74O14/c1-21(2)12-11-15-44(10,53)24-13-17-42(8)30(24)25(46)18-28-41(7)16-14-29(47)40(5,6)37(41)26(19-43(28,42)9)56-39-36(34(51)32(49)27(57-39)20-54-23(4)45)58-38-35(52)33(50)31(48)22(3)55-38/h12,22,24-39,46-53H,11,13-20H2,1-10H3/t22-,24-,25+,26-,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37-,38-,39+,41+,42+,43+,44-/m0/s1
InChIKey: InChIKey=PEOKIFXHILHWMQ-HQKIIMAWSA-N
Formula: C44H74O14
Molecular Weight: 827.051664
Exact Mass: 826.507857
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Jia, J.M., Wang, Z.Q., Wu, L.J. Chin Chem Lett (2008) 19, 1099-102
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) | 39.4 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 78.3 |
| 4 (C) | 39.9 |
| 5 (CH) | 60.7 |
| 6 (CH) | 73.5 |
| 7 (CH2) | 46.2 |
| 8 (C) | 39.7 |
| 9 (CH) | 49.8 |
| 10 (C) | 41.3 |
| 11 (CH2) | 32.1 |
| 12 (CH) | 71 |
| 13 (CH) | 48.4 |
| 14 (C) | 51.7 |
| 15 (CH2) | 31.4 |
| 16 (CH2) | 26.8 |
| 17 (CH) | 54.8 |
| 18 (CH3) | 17.2 |
| 19 (CH3) | 17.5 |
| 20 (C) | 73 |
| 21 (CH3) | 27.1 |
| 22 (CH2) | 35.8 |
| 23 (CH2) | 23 |
| 24 (CH) | 126.3 |
| 25 (C) | 130.8 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 32.1 |
| 29 (CH3) | 17.6 |
| 30 (CH3) | 17 |
| 1' (CH) | 101.4 |
| 2' (CH) | 78.4 |
| 3' (CH) | 79.1 |
| 4' (CH) | 72.3 |
| 5' (CH) | 75.5 |
| 6' (CH2) | 65 |
| 1'' (CH) | 102.1 |
| 2'' (CH) | 72.4 |
| 3'' (CH) | 72.3 |
| 4'' (CH) | 74.2 |
| 5'' (CH) | 69.4 |
| 6'' (CH3) | 18.7 |
| 6'a (C) | 170.8 |
| 6'b (CH3) | 20.9 |
