Spektraris NMR
quinovic acid
Common Name: quinovic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-17-9-14-29(24(32)33)15-16-30(25(34)35)19(23(29)18(17)2)7-8-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,30)6/h7,17-18,20-23,31H,8-16H2,1-6H3,(H,32,33)(H,34,35)/t17-,18+,20+,21-,22+,23+,27+,28-,29+,30-/m1/s1
InChIKey: InChIKey=OJUYFGQEMPENCE-DPKHZRJYSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rumbero Sanchez A., Vazquez P. Phytochemistry (1991) 30, 623
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) | 39.4 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 78.1 |
| 4 (C) | 39.4 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 19 |
| 7 (CH2) | 37.7 |
| 8 (C) | 40.2 |
| 9 (CH) | 47.4 |
| 10 (C) | 37.5 |
| 11 (CH2) | 23.5 |
| 12 (CH) | 129.1 |
| 13 (C) | 134.2 |
| 14 (C) | 56.9 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 25.6 |
| 17 (C) | 48.9 |
| 18 (CH) | 55.1 |
| 19 (CH) | 39.5 |
| 20 (CH) | 37.8 |
| 21 (CH2) | 30.7 |
| 22 (CH2) | 37.2 |
| 23 (CH3) | 28.7 |
| 24 (CH3) | 16.8 |
| 25 (CH3) | 16.8 |
| 26 (CH3) | 18.4 |
| 27 (C) | 178.2 |
| 28 (C) | 180.2 |
| 29 (CH3) | 19.1 |
| 30 (CH3) | 21.7 |
