Spektraris NMR
Quercinic acid C methyl ester
Common Name: Quercinic acid C methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O5/c1-18(16-24(33)19(2)20(3)28(36)37-9)21-12-15-31(7)22-10-11-25-29(4,5)26(34)13-14-30(25,6)23(22)17-27(35)32(21,31)8/h18-21,25-27,34-35H,10-17H2,1-9H3/t18-,19-,20+,21-,25+,26-,27-,30-,31+,32+/m1/s1
InChIKey: InChIKey=SQPVQIFFSRREOY-KPCDMEKNSA-N
Formula: C32H52O5
Molecular Weight: 516.753493
Exact Mass: 516.381475
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Quang, D.N., Arakawa, Y., Hashimoto, T., Asakawa, Y. Phytochemistry (2005) 66, 1656-61
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) | 30.2 |
| 2 (CH2) | 26.1 |
| 3 (CH) | 75.9 |
| 4 (C) | 37.5 |
| 5 (CH) | 44.1 |
| 6 (CH2) | 18 |
| 7 (CH2) | 25.7 |
| 8 (C) | 133.5 |
| 9 (C) | 135.8 |
| 10 (C) | 36.7 |
| 11 (CH2) | 33.6 |
| 12 (CH) | 72.8 |
| 13 (C) | 52.5 |
| 14 (C) | 49.1 |
| 15 (CH2) | 31.1 |
| 16 (CH2) | 25.6 |
| 17 (CH) | 49.9 |
| 18 (CH3) | 9.7 |
| 19 (CH3) | 18.9 |
| 20 (CH) | 30.2 |
| 21 (CH3) | 22.3 |
| 22 (CH2) | 47.8 |
| 23 (C) | 213.7 |
| 24 (CH) | 48.3 |
| 25 (CH) | 40.8 |
| 26 (C) | 176.5 |
| 27 (CH3) | 14.4 |
| 28 (CH3) | 28 |
| 29 (CH3) | 22.1 |
| 30 (CH3) | 24 |
| 24a (CH3) | 13.6 |
| 26a (CH3) | 51.8 |
