Spektraris NMR
quercinic acid B
Common Name: quercinic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O4/c1-18(17-24(32)19(2)20(3)27(34)35)21-11-15-31(8)23-9-10-25-28(4,5)26(33)13-14-29(25,6)22(23)12-16-30(21,31)7/h18,20-21,25H,2,9-17H2,1,3-8H3,(H,34,35)/t18-,20?,21-,25+,29-,30-,31+/m1/s1
InChIKey: InChIKey=GHDRSYXGPSCEMR-WGUXTVTPSA-N
Formula: C31H46O4
Molecular Weight: 482.695707
Exact Mass: 482.33961
NMR Solvent: CDCl3
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) | 36.1 |
| 2 (CH2) | 34.63 |
| 3 (C) | 217.9 |
| 4 (C) | 47.43 |
| 5 (CH) | 51.28 |
| 6 (CH2) | 19.44 |
| 7 (CH2) | 26.35 |
| 8 (C) | 135.16 |
| 9 (C) | 133.31 |
| 10 (C) | 36.94 |
| 11 (CH2) | 21.08 |
| 12 (CH2) | 30.9 |
| 13 (C) | 44.69 |
| 14 (C) | 50.06 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 21.08 |
| 17 (CH) | 50.72 |
| 18 (CH3) | 15.94 |
| 19 (CH3) | 19.73 |
| 20 (CH) | 33.96 |
| 21 (CH3) | 18.71 |
| 22 (CH2) | 44.69 |
| 23 (C) | 201.83 |
| 24 (C) | 148.05 |
| 25 (CH) | 40.19 |
| 26 (C) | 178.31 |
| 27 (CH3) | 15.89 |
| 28 (CH3) | 21.32 |
| 29 (CH3) | 26.2 |
| 30 (CH3) | 24.41 |
| 24a (CH2) | 125.46 |
