Spektraris NMR
3beta,4alpha,10beta-Trihydroxy-8alpha-acetoxyguai-1,11(13)-dien-6alpha,12-olide
Common Name: 3beta,4alpha,10beta-Trihydroxy-8alpha-acetoxyguai-1,11(13)-dien-6alpha,12-olide
Synonyms: 3beta,4alpha,10beta-Trihydroxy-8alpha-acetoxyguai-1,11(13)-dien-6alpha,12-olide
CAS Registry Number:
InChI: InChI=1S/C17H22O7/c1-7-12-10(23-8(2)18)6-16(3,21)9-5-11(19)17(4,22)13(9)14(12)24-15(7)20/h5,10-14,19,21-22H,1,6H2,2-4H3/t10-,11+,12+,13-,14-,16-,17+/m0/s1
InChIKey: InChIKey=WWYRIZXCJUURHL-AHZUSZHVSA-N
Formula: C17H22O7
Molecular Weight: 338.353041
Exact Mass: 338.136553
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmed, A.A., El-Moghazy, S.A., El-Shanawany, M.A., Abdel-Ghani, H.F., Karchesy, J., Sturtz, G., Dalley, K., Pare, P.W. J Nat Prod (2004) 67, 1705-10
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 (C) | 151.3 |
| 2 (CH) | 127.1 |
| 3 (CH) | 79.5 |
| 4 (C) | 78.6 |
| 5 (CH) | 57.8 |
| 6 (CH) | 77 |
| 7 (CH) | 46.7 |
| 8 (CH) | 72.2 |
| 9 (CH2) | 43.1 |
| 10 (C) | 78.6 |
| 11 (C) | 137.5 |
| 12 (C) | 169.8 |
| 13 (CH2) | 122.1 |
| 14 (CH3) | 30.4 |
| 15 (CH3) | 22 |
| 8a (C) | 170.7 |
| 8b (CH3) | 21.3 |
