Spektraris NMR
1alpha,3alpha,4beta-Trihydroxy-8alpha-acetoxyguai-9,11(13)-dien-6alpha,12-olide
Common Name: 1alpha,3alpha,4beta-Trihydroxy-8alpha-acetoxyguai-9,11(13)-dien-6alpha,12-olide
Synonyms: 1alpha,3alpha,4beta-Trihydroxy-8alpha-acetoxyguai-9,11(13)-dien-6alpha,12-olide
CAS Registry Number:
InChI: InChI=1S/C17H22O7/c1-7-5-10(23-9(3)18)12-8(2)15(20)24-13(12)14-16(4,21)11(19)6-17(7,14)22/h5,10-14,19,21-22H,2,6H2,1,3-4H3/t10-,11+,12+,13-,14-,16-,17+/m0/s1
InChIKey: InChIKey=KWODTFNUHIUBMF-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) | 81.8 |
| 2 (CH2) | 45.4 |
| 3 (CH) | 79.4 |
| 4 (C) | 82.1 |
| 5 (CH) | 64.2 |
| 6 (CH) | 75.6 |
| 7 (CH) | 44 |
| 8 (CH) | 73.2 |
| 9 (CH) | 122.9 |
| 10 (C) | 140.1 |
| 11 (C) | 136.7 |
| 12 (C) | 169.2 |
| 13 (CH2) | 123.7 |
| 14 (CH3) | 24.7 |
| 15 (CH3) | 24.3 |
| 8a (C) | 170.4 |
| 8b (CH3) | 21.2 |
| 1 (CH) | 38 |
| 2 (CH2) | 23.9 |
| 3 (CH2) | 32.4 |
| 4 (C) | 71.6 |
| 5 (CH) | 73 |
| 6 (CH) | 44.2 |
| 7 (CH) | 42.5 |
| 8 (CH2) | 26.1 |
| 9 (CH2) | 36.4 |
| 10 (C) | 152.9 |
| 11 (CH) | 25.8 |
| 12 (CH3) | 15.4 |
| 13 (CH3) | 21.6 |
| 14 (CH3) | 28 |
| 15 (CH2) | 104.7 |
