Spektraris NMR
Asiaticoside E
Common Name: Asiaticoside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H68O15/c1-19-9-12-42(37(53)57-36-33(51)31(49)29(47)24(56-36)17-54-35-32(50)30(48)28(46)23(16-43)55-35)14-13-40(5)21(27(42)20(19)2)7-8-26-38(3)15-22(45)34(52)39(4,18-44)25(38)10-11-41(26,40)6/h7,19-20,22-36,43-52H,8-18H2,1-6H3/t19-,20+,22-,23-,24-,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35-,36+,38+,39+,40-,41-,42+/m1/s1
InChIKey: InChIKey=QRECZCMVJKJLJW-YOHVNQQVSA-N
Formula: C42H68O15
Molecular Weight: 812.981953
Exact Mass: 812.455822
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Jiang, Z.Y., Zhang, X.M., Zhou, J., Chen, J.J. Helv Chim Acta (2005) 88, 297-303
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 |
| 2 (CH) | 68.9 |
| 3 (CH) | 78 |
| 4 (C) | 43.6 |
| 5 (CH) | 47.9 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 33.2 |
| 8 (C) | 40.2 |
| 9 (CH) | 48.2 |
| 10 (C) | 38.3 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 126 |
| 13 (C) | 138.5 |
| 14 (C) | 42.6 |
| 15 (CH2) | 28.7 |
| 16 (CH2) | 24.6 |
| 17 (C) | 48.4 |
| 18 (CH) | 53.2 |
| 19 (CH) | 39.3 |
| 20 (CH) | 39 |
| 21 (CH2) | 30.8 |
| 22 (CH2) | 36.8 |
| 23 (CH2) | 66.5 |
| 24 (CH3) | 14.4 |
| 25 (CH3) | 17.7 |
| 26 (CH3) | 17.8 |
| 27 (CH3) | 23.7 |
| 28 (C) | 176.3 |
| 29 (CH3) | 17.3 |
| 30 (CH3) | 21.2 |
| 1' (CH) | 95.6 |
| 2' (CH) | 73.8 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.1 |
| 5' (CH) | 77.9 |
| 6' (CH2) | 69.6 |
| 1'' (CH) | 105.3 |
| 2'' (CH) | 75.2 |
| 3'' (CH) | 78.5 |
| 4'' (CH) | 71.5 |
| 5'' (CH) | 78.2 |
| 6'' (CH2) | 62.7 |
