Spektraris NMR
5β-10α-Hydroxy-2a-methoxy-6-oxoguaia-7(11) ,8-dien-8,12-olide
Common Name: 5β-10α-Hydroxy-2a-methoxy-6-oxoguaia-7(11) ,8-dien-8,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H20O5/c1-7-5-9(20-4)13-11(7)14(17)12-8(2)15(18)21-10(12)6-16(13,3)19/h6-7,9,11,13,19H,5H2,1-4H3/t7-,9-,11+,13+,16+/m0/s1
InChIKey: InChIKey=NUPYJMBTWCBSIF-YTCCUDJHSA-N
Formula: C16H20O5
Molecular Weight: 292.327614
Exact Mass: 292.131074
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Shen, T., Wan, W.Z., Wang, X.N., Sun, L.M., Yuan, H.Q., Wang, X.L., Ji, M., Lou, H.X. Helv Chim Acta (2008) 91, 881-7
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) | 61.7 |
| 2 (CH) | 83.7 |
| 3 (CH2) | 41.5 |
| 4 (CH) | 34.1 |
| 5 (CH) | 63.5 |
| 6 (C) | 195.8 |
| 7 (C) | 145.7 |
| 8 (C) | 140.7 |
| 9 (CH) | 124.5 |
| 10 (C) | 72.5 |
| 11 (C) | 137.5 |
| 12 (C) | 170.2 |
| 13 (CH3) | 11.7 |
| 14 (CH3) | 23.6 |
| 15 (CH3) | 19.6 |
| 2a (CH3) | 56.9 |
