Spektraris NMR
Paeonenoide
Common Name: Paeonenoide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O4/c1-17-8-13-28(23(30)31)15-14-25(3)18(19(28)16-17)6-7-20-24(2)11-10-22(29)27(5,32)21(24)9-12-26(20,25)4/h6,19-22,29,32H,1,7-16H2,2-5H3,(H,30,31)/t19-,20+,21+,22-,24+,25+,26+,27+,28-/m0/s1
InChIKey: InChIKey=VIDISXWZNJLDBI-IDEZQVRVSA-N
Formula: C28H42O4
Molecular Weight: 442.631736
Exact Mass: 442.30831
NMR Solvent: C5D5N
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) | 38.8 |
| 2 (CH2) | 28.3 |
| 3 (CH) | 79.8 |
| 4 (C) | 75.3 |
| 5 (CH) | 56.4 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 32.8 |
| 8 (C) | 39.9 |
| 9 (CH) | 48.1 |
| 10 (C) | 38 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 123 |
| 13 (C) | 144.2 |
| 14 (C) | 42.2 |
| 15 (CH2) | 28.6 |
| 16 (CH2) | 23.9 |
| 17 (C) | 47.1 |
| 18 (CH) | 48.1 |
| 19 (CH2) | 42 |
| 20 (C) | 149.2 |
| 21 (CH2) | 38.4 |
| 22 (CH2) | 30.4 |
| 23 (CH3) | 17.9 |
| 25 (CH3) | 15.2 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 26.1 |
| 28 (C) | 179.4 |
| 29 (CH2) | 107.1 |
