Spektraris NMR
1α,5β,8α-triacetategermacra-4(15),9(Z),11(13)-trien-6α,12-olide.
Common Name: 1α,5β,8α-triacetategermacra-4(15),9(Z),11(13)-trien-6α,12-olide.
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O8/c1-10-7-8-16(26-13(4)22)11(2)9-17(27-14(5)23)18-12(3)21(25)29-20(18)19(10)28-15(6)24/h9,16-20H,1,3,7-8H2,2,4-6H3/b11-9-/t16-,17+,18-,19-,20+/m1/s1
InChIKey: InChIKey=UIQWEGXQJBCJNK-YAVGQLGPSA-N
Formula: C21H26O8
Molecular Weight: 406.427153
Exact Mass: 406.162768
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Triana, J., Eiroa, J.L., Ortega, J.J., Leon, F., Brouard, I., Torres, F., Quintana, J., Estevez, F., Bermejo, J. J Nat Prod (2008) 71, 2015-20
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) | 69.9 |
| 2 (CH2) | 26.5 |
| 3 (CH2) | 29.7 |
| 4 (C) | 142.5 |
| 5 (CH) | 77.2 |
| 6 (CH) | 73.2 |
| 7 (CH) | 47.3 |
| 8 (CH) | 74 |
| 9 (CH) | 125.9 |
| 10 (C) | 137.3 |
| 11 (C) | 133.9 |
| 12 (C) | 170 |
| 13 (CH2) | 127.3 |
| 14 (CH3) | 17.7 |
| 15 (CH2) | 114.8 |
| 1a (C) | 169 |
| 1b (CH3) | 20.7 |
| 5a (C) | 169.1 |
| 5b (CH3) | 20.9 |
| 8a (C) | 169.7 |
| 8b (CH3) | 21.1 |
