Spektraris NMR
(E)-11b,15-Dihydroxy-2-oxo-6bH-13-norguaia-3-ene-11,6-carbolactone
Common Name: (E)-11b,15-Dihydroxy-2-oxo-6bH-13-norguaia-3-ene-11,6-carbolactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O5/c1-7-3-4-9-13(20-14(18)15(9,2)19)12-8(6-16)5-10(17)11(7)12/h5,7,9,11-13,16,19H,3-4,6H2,1-2H3/t7-,9+,11+,12-,13-,15+/m0/s1
InChIKey: InChIKey=FJZPPCNENYYPMA-BBVKGEMHSA-N
Formula: C15H20O5
Molecular Weight: 280.316878
Exact Mass: 280.131074
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Zhang, H., Liao, Z.X., Yue, J.M. Helv Chim Acta (2004) 87, 976-82
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 13 13 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) | 53.9 |
| 2 (C) | 207.3 |
| 3 (CH) | 128.5 |
| 4 (C) | 183.2 |
| 5 (CH) | 51 |
| 6 (CH) | 81.5 |
| 7 (CH) | 53.2 |
| 8 (CH2) | 21.2 |
| 9 (CH2) | 34.4 |
| 10 (CH) | 34.6 |
| 11 (C) | 74.3 |
| 12 (C) | 176.4 |
| 13 (CH3) | 19.8 |
| 14 (CH3) | 14.7 |
| 15 (CH2) | 62.3 |
