Spektraris NMR
13-Acetoxy-3-propanoyl-germacra-1(10)E,4E,7(11)-trien-12,6 -olide
Common Name: 13-Acetoxy-3-propanoyl-germacra-1(10)E,4E,7(11)-trien-12,6 -olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-5-19(22)25-17-9-7-12(2)6-8-15-16(11-24-14(4)21)20(23)26-18(15)10-13(17)3/h7,10,17-18H,5-6,8-9,11H2,1-4H3/b12-7+,13-10+/t17-,18+/m0/s1
InChIKey: InChIKey=ZHSMTXSVUWPNHP-KGFACNRXSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
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) | 77.8 |
| 4 (C) | 138 |
| 5 (CH) | 122.2 |
| 6 (CH) | 80.4 |
| 7 (C) | 169.7 |
| 8 (CH2) | 26 |
| 9 (CH2) | 40.3 |
| 10 (C) | 136.8 |
| 11 (C) | 124.8 |
| 12 (C) | 172.3 |
| 13 (CH2) | 55.4 |
| 14 (CH3) | 16.2 |
| 15 (CH3) | 11.9 |
| 3a (C) | 173.4 |
| 3b (CH2) | 27.8 |
| 3c (CH3) | 9.2 |
| 13a (C) | 170.6 |
| 13b (CH3) | 20.9 |
