Spektraris NMR
3-O-(4′-O-Acetyl)-α-L-arabinopyranosyloleanolic acid
Common Name: 3-O-(4′-O-Acetyl)-α-L-arabinopyranosyloleanolic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H58O8/c1-21(38)44-24-20-43-30(29(40)28(24)39)45-27-12-13-34(6)25(33(27,4)5)11-14-36(8)26(34)10-9-22-23-19-32(2,3)15-17-37(23,31(41)42)18-16-35(22,36)7/h9,23-30,39-40H,10-20H2,1-8H3,(H,41,42)/t23-,24-,25-,26+,27-,28-,29+,30-,34-,35+,36+,37-/m0/s1
InChIKey: InChIKey=KHUCEDBSGNUTIL-AVHMAWMISA-N
Formula: C37H58O8
Molecular Weight: 630.853031
Exact Mass: 630.413169
NMR Solvent: p
MHz:
Calibration:
NMR references: 13C - Wang, L.L., Li, Z.L., Song, D.D., Sun, L., Pei, Y.H., Jing, Y.K., Hua, H.M. Planta Med (2008) 74, 1735-40
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.7 |
| 2 (CH2) | 28.2 |
| 3 (CH) | 88.9 |
| 4 (C) | 39.6 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 33.2 |
| 8 (C) | 39.8 |
| 9 (CH) | 48.1 |
| 10 (C) | 37 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 122.6 |
| 13 (C) | 144.8 |
| 14 (C) | 42.2 |
| 15 (CH2) | 26.7 |
| 16 (CH2) | 23.7 |
| 17 (C) | 46.5 |
| 18 (CH) | 42 |
| 19 (CH2) | 46.7 |
| 20 (C) | 30.9 |
| 21 (CH2) | 34.2 |
| 22 (CH2) | 33.2 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 16.9 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 26.2 |
| 28 (C) | 180.2 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 23.8 |
| 1' (CH) | 107.6 |
| 2' (CH) | 73.2 |
| 3' (CH) | 72.4 |
| 4' (CH) | 72.5 |
| 5' (CH2) | 64.4 |
| 4'a (C) | 170.8 |
| 4'b (CH3) | 21.1 |
