Spektraris NMR
3-Oxoquinovic acid
Common Name: 3-Oxoquinovic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O5/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/h7,17-18,20-21,23H,8-16H2,1-6H3,(H,32,33)(H,34,35)/t17-,18+,20+,21-,23+,27+,28-,29+,30-/m1/s1
InChIKey: InChIKey=FMSFBVNDANCOGZ-UTNBSYOWSA-N
Formula: C30H44O5
Molecular Weight: 484.668495
Exact Mass: 484.318875
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bishay D.W., Che C.T., Gonzalez A., Pezzuto J.M., Kinghorn A.D., Famsworth N.R. Fitoterapia (1988) 59, 397
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) | 34.2 |
| 3 (C) | 216.3 |
| 4 (C) | 47.1 |
| 5 (CH) | 54.9 |
| 6 (CH2) | 19.9 |
| 7 (CH2) | 39.9 |
| 8 (C) | 39.1 |
| 9 (CH) | 46.2 |
| 10 (C) | 37 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 128.6 |
| 13 (C) | 135 |
| 14 (C) | 56.6 |
| 15 (CH2) | 25.4 |
| 16 (CH2) | 26.3 |
| 17 (C) | 48.7 |
| 18 (CH) | 54.8 |
| 19 (CH) | 37.7 |
| 20 (CH) | 39.3 |
| 21 (CH2) | 30.5 |
| 22 (CH2) | 36.7 |
| 23 (CH3) | 26.8 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 21.4 |
| 26 (CH3) | 18.7 |
| 27 (C) | 177.8 |
| 28 (C) | 178 |
| 29 (CH3) | 18.3 |
| 30 (CH3) | 21.3 |
