Spektraris NMR
(1S,5S,6S,10S)-10-Hydroxyguaia-3,7(11)-dien-12,6-olide
Common Name: (1S,5S,6S,10S)-10-Hydroxyguaia-3,7(11)-dien-12,6-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-8-4-5-11-12(8)13-10(6-7-15(11,3)17)9(2)14(16)18-13/h4,11-13,17H,5-7H2,1-3H3/t11-,12+,13+,15-/m0/s1
InChIKey: InChIKey=BMROHUVQCZACSK-JLNYLFASSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Takayanagi, T., Ishikawa, T., Kitajima, J. Phytochemistry (2003) 63, 479-84
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) | 57.71 |
| 2 (CH2) | 33.26 |
| 3 (CH) | 126.49 |
| 4 (C) | 145.55 |
| 5 (CH) | 53.81 |
| 6 (CH) | 84.51 |
| 7 (C) | 164.77 |
| 8 (CH2) | 22.72 |
| 9 (CH2) | 31.79 |
| 10 (C) | 71.04 |
| 11 (C) | 121.57 |
| 12 (C) | 174.33 |
| 13 (CH3) | 8.38 |
| 14 (CH3) | 32.54 |
| 15 (CH3) | 18.34 |
