Spektraris NMR
quercinic acid C
Common Name: quercinic acid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O5/c1-17(15-23(32)18(2)19(3)27(35)36)20-11-14-30(7)21-9-10-24-28(4,5)25(33)12-13-29(24,6)22(21)16-26(34)31(20,30)8/h17-20,24-26,33-34H,9-16H2,1-8H3,(H,35,36)/t17-,18-,19?,20-,24+,25+,26-,29-,30+,31+/m1/s1
InChIKey: InChIKey=UREYGWKJWUPQSC-YBOLZYJCSA-N
Formula: C31H50O5
Molecular Weight: 502.726875
Exact Mass: 502.365825
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Rosecke, J., Konig, W.A. Phytochemistry (2000) 54, 757-62
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 30.55 |
| 2 (CH2) | 26.49 |
| 3 (CH) | 74.64 |
| 4 (C) | 37.76 |
| 5 (CH) | 44.18 |
| 6 (CH2) | 18.17 |
| 7 (CH2) | 25.83 |
| 8 (C) | 133.33 |
| 9 (C) | 136.74 |
| 10 (C) | 36.89 |
| 11 (CH2) | 34.62 |
| 12 (CH) | 71.57 |
| 13 (C) | 52.04 |
| 14 (C) | 49.36 |
| 15 (CH2) | 31.27 |
| 16 (CH2) | 25.61 |
| 17 (CH) | 50.38 |
| 18 (CH3) | 10.44 |
| 19 (CH3) | 19.01 |
| 20 (CH) | 29.91 |
| 21 (CH3) | 22.55 |
| 22 (CH2) | 48.21 |
| 23 (C) | 213.31 |
| 24 (CH) | 48.46 |
| 25 (CH) | 41.58 |
| 26 (C) | 178.04 |
| 27 (CH3) | 14.41 |
| 28 (CH3) | 22.21 |
| 29 (CH3) | 28.68 |
| 30 (CH3) | 23.82 |
| 24a (CH3) | 13.26 |
