Spektraris NMR
(1S*,4R*,8S*,10R*)-13-Acetyloxy-1,4-epoxy-1,10-dihydroxy-8-isobutyryloxygermacra-5E,7(11)-dien-6,12-olide
Common Name: (1S*,4R*,8S*,10R*)-13-Acetyloxy-1,4-epoxy-1,10-dihydroxy-8-isobutyryloxygermacra-5E,7(11)-dien-6,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O9/c1-11(2)17(23)28-15-9-20(5,25)21(26)7-6-19(4,30-21)8-14-16(15)13(18(24)29-14)10-27-12(3)22/h8,11,15,25-26H,6-7,9-10H2,1-5H3/b14-8+/t15-,19+,20+,21-/m0/s1
InChIKey: InChIKey=QCEANJHMJFDZFV-CYDVCVIESA-N
Formula: C21H28O9
Molecular Weight: 424.442439
Exact Mass: 424.173332
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Huo, J., Yang, S.P., Xie, B.J., Liao, S.G., Lin, L.P., Ding, J., Yue, J.M. J Asian Nat Prod Res (2008) 10, 571-5
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 (C) | 108.7 |
| 2 (CH2) | 31.8 |
| 3 (CH2) | 37.5 |
| 4 (C) | 82.1 |
| 5 (CH) | 126.8 |
| 6 (C) | 150 |
| 7 (C) | 144 |
| 8 (CH) | 66.5 |
| 9 (CH2) | 38.1 |
| 10 (C) | 78.1 |
| 11 (C) | 131.2 |
| 12 (C) | 166.5 |
| 13 (CH2) | 55.8 |
| 14 (CH3) | 25.4 |
| 15 (CH3) | 29.1 |
| 8a (C) | 175.4 |
| 8b (CH) | 34.1 |
| 8c (CH3) | 18.9 |
| 8d (CH3) | 18.4 |
| 13a (C) | 170.3 |
| 13b (CH3) | 20.7 |
