Spektraris NMR
Asiaticoside B
Common Name: Asiaticoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H54O9/c1-18(2)29(40)22-13-19(3)28-23(45-22)14-34(7)25-10-9-24-33(5,6)26(46-32-31(42)30(41)21(39)16-43-32)11-12-36(24)17-37(25,36)15-27(35(28,34)8)44-20(4)38/h10,13,18-19,21,23-24,26-28,30-32,39,41-42H,9,11-12,14-17H2,1-8H3/t19-,21-,23+,24+,26+,27-,28+,30+,31-,32+,34+,35-,36-,37+/m1/s1
InChIKey: InChIKey=OICQARGRQPYOBP-CTECLONPSA-N
Formula: C37H54O9
Molecular Weight: 642.820673
Exact Mass: 642.376783
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Gao, J., Huang, F., Zhang, J., Zhu, G., Yang, M., Xiao, P. J Nat Prod (2006) 69, 1500-2
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 30.9 |
| 2 (CH2) | 30 |
| 3 (CH) | 88.4 |
| 4 (C) | 41 |
| 5 (CH) | 42.9 |
| 6 (CH2) | 22.4 |
| 7 (CH) | 114.7 |
| 8 (C) | 148.5 |
| 9 (C) | 21.1 |
| 10 (C) | 27.7 |
| 11 (CH2) | 36.8 |
| 12 (CH) | 77.3 |
| 13 (C) | 51.1 |
| 14 (C) | 48.6 |
| 15 (CH2) | 44.9 |
| 16 (CH) | 76.2 |
| 17 (CH) | 53.2 |
| 18 (CH3) | 14.7 |
| 19 (CH2) | 30 |
| 20 (CH) | 26.1 |
| 21 (CH3) | 24.8 |
| 22 (CH) | 117.1 |
| 23 (C) | 150.5 |
| 24 (C) | 200.9 |
| 25 (CH) | 35.6 |
| 26 (CH3) | 19.1 |
| 27 (CH3) | 19.1 |
| 28 (CH3) | 26.3 |
| 29 (CH3) | 14.8 |
| 30 (CH3) | 28.4 |
| 1' (CH) | 108.1 |
| 2' (CH) | 76.4 |
| 3' (CH) | 79.2 |
| 4' (CH) | 71.8 |
| 5' (CH2) | 67.7 |
| 12a (C) | 171.3 |
| 12b (CH3) | 21.8 |
