Spektraris NMR
Quinovic acid 3-O-quinovoside
Common Name: Quinovic acid 3-O-quinovoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H56O9/c1-18-10-15-35(30(40)41)16-17-36(31(42)43)21(25(35)19(18)2)8-9-23-33(6)13-12-24(32(4,5)22(33)11-14-34(23,36)7)45-29-28(39)27(38)26(37)20(3)44-29/h8,18-20,22-29,37-39H,9-17H2,1-7H3,(H,40,41)(H,42,43)/t18-,19+,20-,22+,23-,24+,25+,26-,27+,28-,29+,33+,34-,35+,36-/m1/s1
InChIKey: InChIKey=PUOQHFWXBKTHST-DLCGLXBKSA-N
Formula: C36H56O9
Molecular Weight: 632.825819
Exact Mass: 632.392433
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Cheng, Z.H., Yu, B.Y., Cordell, G.A., Qiu, S.X. Org Lett (2004) 6, 3163-5
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) | 39.28 |
| 2 (CH2) | 26.31 |
| 3 (CH) | 88.38 |
| 4 (C) | 39 |
| 5 (CH) | 55.72 |
| 6 (CH2) | 18.77 |
| 7 (CH2) | 34.47 |
| 8 (C) | 39.95 |
| 9 (CH) | 47.13 |
| 10 (C) | 37.04 |
| 11 (CH2) | 23.27 |
| 12 (CH) | 128.9 |
| 13 (C) | 134.04 |
| 14 (C) | 56.7 |
| 15 (CH2) | 26.78 |
| 16 (CH2) | 25.46 |
| 17 (C) | 48.66 |
| 18 (CH) | 54.86 |
| 19 (CH) | 39.42 |
| 20 (CH) | 37.67 |
| 21 (CH2) | 30.51 |
| 22 (CH2) | 36.93 |
| 23 (CH3) | 27.92 |
| 24 (CH3) | 17 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 18.52 |
| 27 (C) | 178.01 |
| 28 (C) | 180.07 |
| 29 (CH3) | 18.84 |
| 30 (CH3) | 21.3 |
| 1' (CH) | 106.65 |
| 2' (CH) | 75.83 |
| 3' (CH) | 78.31 |
| 4' (CH) | 76.83 |
| 5' (CH) | 72.6 |
| 6' (CH3) | 18.19 |
