Spektraris NMR
13-Acetoxy-3-hydroxy-germacra-1(10)E,4E,7(11)-trien-12,6 -olide
Common Name: 13-Acetoxy-3-hydroxy-germacra-1(10)E,4E,7(11)-trien-12,6 -olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H22O5/c1-10-4-6-13-14(9-21-12(3)18)17(20)22-16(13)8-11(2)15(19)7-5-10/h5,8,15-16,19H,4,6-7,9H2,1-3H3/b10-5+,11-8+/t15-,16+/m0/s1
InChIKey: InChIKey=DSMOADJYFRMMKC-JBYUELLOSA-N
Formula: C17H22O5
Molecular Weight: 306.354231
Exact Mass: 306.146724
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) | 126.4 |
| 2 (CH2) | 34.4 |
| 3 (CH) | 77.1 |
| 4 (C) | 142 |
| 5 (CH) | 120.6 |
| 6 (CH) | 80.8 |
| 7 (C) | 170.2 |
| 8 (CH2) | 26 |
| 9 (CH2) | 40.3 |
| 10 (C) | 135.9 |
| 11 (C) | 125 |
| 12 (C) | 172.5 |
| 13 (CH2) | 55.4 |
| 14 (CH3) | 16.1 |
| 15 (CH3) | 11.2 |
| 13a (C) | 170.7 |
| 13b (CH3) | 20.8 |
