Spektraris NMR
8,10-Diacetoxy-2-methoxy-3,11(13)-guaiadien-12,6-olide
Common Name: 8,10-Diacetoxy-2-methoxy-3,11(13)-guaiadien-12,6-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O7/c1-9-7-13(24-6)17-15(9)18-16(10(2)19(23)26-18)14(25-11(3)21)8-20(17,5)27-12(4)22/h7,13-18H,2,8H2,1,3-6H3/t13-,14-,15-,16+,17+,18+,20+/m0/s1
InChIKey: InChIKey=SDFSRLRVBFJUAZ-QAOKCREBSA-N
Formula: C20H26O7
Molecular Weight: 378.417012
Exact Mass: 378.167853
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lee, J.R., Yang, M.S., Lee, J., Hwang, S.W., Kho, Y.H., Park, K.H. Planta Med (2003) 69, 880-2
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 55.6 |
| 2 (CH) | 83.7 |
| 3 (CH) | 126.6 |
| 4 (C) | 151.1 |
| 5 (CH) | 54.6 |
| 6 (CH) | 82.1 |
| 7 (CH) | 47 |
| 8 (CH) | 73.9 |
| 9 (CH2) | 41.7 |
| 10 (C) | 74 |
| 11 (C) | 138.7 |
| 12 (C) | 169.4 |
| 13 (CH2) | 121.1 |
| 14 (CH3) | 18.4 |
| 15 (CH3) | 32.7 |
| 1a (C) | 170.1 |
| 1b (CH3) | 21.5 |
| 2a (CH3) | 55.8 |
| 8a (C) | 170.1 |
| 8b (CH3) | 32.7 |
