Spektraris NMR
Paeonenoide A
Common Name: Paeonenoide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O6/c1-15-5-10-26-12-11-25(4)24(3)9-6-16-23(2,8-7-18(30)27(16,32)14-29)20(24)19-21(33-19)28(25,17(26)13-15)34-22(26)31/h16-21,29-30,32H,1,5-14H2,2-4H3/t16-,17-,18+,19+,20-,21+,23+,24-,25+,26+,27-,28-/m1/s1
InChIKey: InChIKey=QUSTXILFWOVTCK-WEEWHIELSA-N
Formula: C28H40O6
Molecular Weight: 472.614665
Exact Mass: 472.282489
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, S.H., Yang, S.M., Wu, D.G., Cheng, Y.W., Peng, Q. Helv Chim Acta (2005) 88, 259-65
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 37.7 |
| 2 (CH2) | 27 |
| 3 (CH) | 74.6 |
| 4 (C) | 74.1 |
| 5 (CH) | 49.1 |
| 6 (CH2) | 17.6 |
| 7 (CH2) | 31.1 |
| 8 (C) | 41.1 |
| 9 (CH) | 50.2 |
| 10 (C) | 36.5 |
| 11 (CH) | 52.9 |
| 12 (CH) | 57.3 |
| 13 (C) | 87.1 |
| 14 (C) | 41.5 |
| 15 (CH2) | 26.2 |
| 16 (CH2) | 21.9 |
| 17 (C) | 44.2 |
| 18 (CH) | 54.8 |
| 19 (CH2) | 34.7 |
| 20 (C) | 146.3 |
| 21 (CH2) | 32 |
| 22 (CH2) | 30.2 |
| 23 (CH2) | 68.4 |
| 25 (CH3) | 16.8 |
| 26 (CH3) | 19.2 |
| 27 (CH3) | 20.4 |
| 28 (C) | 178.9 |
| 29 (CH2) | 110.3 |
