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-FKSNNCSZSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Cheng, Z.H., Yu, B.Y., Cordell, G.A., Qiu, S.X. Org Lett (2004) 6, 3163-5
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) | 39.92 |
| 2 (CH2) | 25.6 |
| 3 (CH) | 78.57 |
| 4 (C) | 40.02 |
| 5 (CH) | 56.53 |
| 6 (CH2) | 19.55 |
| 7 (CH2) | 38.37 |
| 8 (C) | 40.73 |
| 9 (CH) | 47.97 |
| 10 (C) | 37.75 |
| 11 (CH2) | 24.03 |
| 12 (CH) | 129.68 |
| 13 (C) | 134.78 |
| 14 (C) | 57.51 |
| 15 (CH2) | 27.02 |
| 16 (CH2) | 26.14 |
| 17 (C) | 49.37 |
| 18 (CH) | 55.63 |
| 19 (CH) | 39.92 |
| 20 (CH) | 38.13 |
| 21 (CH2) | 31.25 |
| 22 (CH2) | 38.01 |
| 23 (CH3) | 29.25 |
| 24 (CH3) | 17.13 |
| 25 (CH3) | 17.2 |
| 26 (CH3) | 18.86 |
| 27 (C) | 178.57 |
| 28 (C) | 180.62 |
| 29 (CH3) | 19.43 |
| 30 (CH3) | 21.93 |
