Spektraris NMR
asiaticoside
Common Name: asiaticoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3/t20-,21+,22+,24-,25-,26-,27-,28-,29+,30+,31-,32-,33+,34-,35-,36-,37-,38-,39+,40-,41+,42+,44+,45+,46-,47-,48+/m1/s1
InChIKey: InChIKey=WYQVAPGDARQUBT-FGWHUCSPSA-N
Formula: C48H78O19
Molecular Weight: 959.123395
Exact Mass: 958.51373
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Du, Q.Z., Jerz, G., Chen, P., Winterhalter, P. Journal of Liquid Chromatography & Related Technologie (2004) 27, 2201-15
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 48.3 |
| 2 (CH) | 69.7 |
| 3 (CH) | 78.8 |
| 4 (C) | 44.1 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 33.7 |
| 8 (C) | 41 |
| 9 (CH) | 49.3 |
| 10 (C) | 39 |
| 11 (CH2) | 24.5 |
| 12 (CH) | 127 |
| 13 (C) | 139.4 |
| 14 (C) | 43.5 |
| 15 (CH2) | 29.3 |
| 16 (CH2) | 25.3 |
| 17 (C) | 49.5 |
| 18 (CH) | 54.1 |
| 19 (CH) | 40.3 |
| 20 (CH) | 40.4 |
| 21 (CH2) | 31.7 |
| 22 (CH2) | 37.6 |
| 23 (CH2) | 66.6 |
| 24 (CH3) | 13.9 |
| 25 (CH3) | 17.9 |
| 26 (CH3) | 18.1 |
| 27 (CH3) | 24 |
| 28 (C) | 178 |
| 29 (CH3) | 17.6 |
| 30 (CH3) | 21.5 |
| 1' (CH) | 95.9 |
| 2' (CH) | 73.8 |
| 3' (CH) | 78 |
| 4' (CH) | 71.1 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 69.7 |
| 1'' (CH) | 104.5 |
| 2'' (CH) | 75.3 |
| 3'' (CH) | 76.8 |
| 4'' (CH) | 79.7 |
| 5'' (CH) | 76.9 |
| 6'' (CH2) | 62 |
| 1''' (CH) | 102.9 |
| 2''' (CH) | 72.5 |
| 3''' (CH) | 72.3 |
| 4''' (CH) | 73.9 |
| 5''' (CH) | 70.7 |
| 6''' (CH3) | 17.8 |
