Spektraris NMR
2a-Hydroxy-8b-isovaleroyloxycostunolide
Common Name: 2a-Hydroxy-8b-isovaleroyloxycostunolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-11(2)6-18(22)24-16-9-12(3)7-15(21)8-13(4)10-17-19(16)14(5)20(23)25-17/h7,10-11,15-17,19,21H,5-6,8-9H2,1-4H3/b12-7+,13-10+/t15-,16-,17-,19-/m1/s1
InChIKey: InChIKey=MITPFWVPAIMKDV-GRCHIEARSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Melek, F.R., Gershenzon, J., Lee, E., Mabry, T.J. Phytochemistry (1984) 23, 2277
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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 (CH) | 134.2 |
| 2 (CH) | 69.3 |
| 3 (CH2) | 48.8 |
| 4 (C) | 142.8 |
| 5 (CH) | 129.5 |
| 6 (CH) | 75.4 |
| 7 (CH) | 53.1 |
| 8 (CH) | 71 |
| 9 (CH2) | 44.2 |
| 10 (C) | 135.3 |
| 11 (C) | 136.7 |
| 12 (C) | 169.6 |
| 13 (CH2) | 121.4 |
| 14 (CH3) | 20 |
| 15 (CH3) | 18.7 |
| 8a (C) | 171.9 |
| 8b (CH2) | 43.4 |
| 8c (CH) | 25.6 |
| 8d (CH3) | 22.4 |
| 8e (CH3) | 22.4 |
