Spektraris NMR
13-Acetoxy-3-(3-methylbutanoyl)-germacra-1(10)E,4E,7(11)-trien-12,6 -olide
Common Name: 13-Acetoxy-3-(3-methylbutanoyl)-germacra-1(10)E,4E,7(11)-trien-12,6 -olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-13(2)10-21(24)27-19-9-7-14(3)6-8-17-18(12-26-16(5)23)22(25)28-20(17)11-15(19)4/h7,11,13,19-20H,6,8-10,12H2,1-5H3/b14-7+,15-11+/t19-,20+/m0/s1
InChIKey: InChIKey=DGDGNNWGTKTTKN-KWTOUDHNSA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wong, H.F., Brown, G.D. Phytochemistry (2002) 59, 529-36
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) | 125.4 |
| 2 (CH2) | 31.4 |
| 3 (CH) | 77.2 |
| 4 (C) | 137.8 |
| 5 (CH) | 122.2 |
| 6 (CH) | 80.4 |
| 7 (C) | 169.7 |
| 8 (CH2) | 26 |
| 9 (CH2) | 40.3 |
| 10 (C) | 136.7 |
| 11 (C) | 125.3 |
| 12 (C) | 172.5 |
| 13 (CH2) | 55.4 |
| 14 (CH3) | 16.1 |
| 15 (CH3) | 11.9 |
| 3b (C) | 172.5 |
| 3c (CH2) | 43.5 |
| 3d (CH) | 25.8 |
| 3e (CH3) | 22.4 |
| 3f (CH3) | 22.5 |
| 13a (C) | 170.6 |
| 13b (CH3) | 20.8 |
