Spektraris NMR
1β,9β-Diacetoxyeudesm-3-en-5α,6β,11βH-12,6-olide
Common Name: 1β,9β-Diacetoxyeudesm-3-en-5α,6β,11βH-12,6-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O6/c1-9-6-7-14(23-11(3)20)19(5)15(24-12(4)21)8-13-10(2)18(22)25-17(13)16(9)19/h6,10,13-17H,7-8H2,1-5H3/t10-,13-,14+,15-,16+,17-,19+/m0/s1
InChIKey: InChIKey=KCTHTUFPZVGRQO-GZVTUANZSA-N
Formula: C19H26O6
Molecular Weight: 350.406871
Exact Mass: 350.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Laid, M., Hegazy, M.E.F., Ahmed, A.A., Ali, K., Belkacemi, D., Ohta, S. Phytochemistry Lett (2008) 1, 85-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 77.3 |
| 2 (CH2) | 29.4 |
| 3 (CH) | 121.4 |
| 4 (C) | 132.1 |
| 5 (CH) | 49.5 |
| 6 (CH) | 79.6 |
| 7 (CH) | 49.5 |
| 8 (CH2) | 30 |
| 9 (CH) | 76.3 |
| 10 (C) | 42.7 |
| 11 (CH) | 40.6 |
| 12 (C) | 178.7 |
| 13 (CH3) | 12.5 |
| 14 (CH3) | 23.3 |
| 15 (CH3) | 8.8 |
| 1a (C) | 169.8 |
| 1b (CH3) | 21.6 |
| 9a (C) | 170.1 |
| 9b (CH3) | 21.4 |
