Spektraris NMR
1-acetoxy-germacra-5E,10(14)-diene-4-one
Common Name: 1-acetoxy-germacra-5E,10(14)-diene-4-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H24O3/c1-11(2)14-6-5-12(3)16(19-13(4)17)10-9-15(18)8-7-14/h7-8,11,14,16H,3,5-6,9-10H2,1-2,4H3/b8-7+/t14-,16-/m0/s1
InChIKey: InChIKey=ZZBZHEMGDLGNDY-MNJDHSKXSA-N
Formula: C16H24O3
Molecular Weight: 264.360567
Exact Mass: 264.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ishii, T., Matsuura, H., Zhaoqi, Z., Vairappan, C.S. Molecules (2009) 14, 4591-6
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) | 76.2 |
| 2 (CH2) | 28.6 |
| 3 (CH2) | 36.2 |
| 4 (C) | 203 |
| 5 (CH) | 130.1 |
| 6 (CH) | 154 |
| 7 (CH) | 53.2 |
| 8 (CH2) | 34.4 |
| 9 (CH2) | 33.5 |
| 10 (C) | 147.9 |
| 11 (CH) | 31.6 |
| 12 (CH3) | 20.9 |
| 13 (CH3) | 20.6 |
| 14 (CH2) | 115.3 |
| 1a (C) | 170.2 |
| 1b (CH3) | 21.3 |
