Spektraris NMR
(1S,4S,5S,7R,10S)-10,11,14-Trihydroxyguai-3-one
Common Name: (1S,4S,5S,7R,10S)-10,11,14-Trihydroxyguai-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O4/c1-9-11-6-10(14(2,3)18)4-5-15(19,8-16)12(11)7-13(9)17/h9-12,16,18-19H,4-8H2,1-3H3/t9-,10+,11-,12-,15+/m0/s1
InChIKey: InChIKey=GTNUTSUOBZNGSY-NKSTYXRASA-N
Formula: C15H26O4
Molecular Weight: 270.365118
Exact Mass: 270.183109
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kitajima, J., Kamoshita, A., Ishikawa, T., Takano, A., Fukuda, T., Isoda, S., Ida, Y. Chem Pharm Bull (2003) 51, 673-8
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) | 51.2 |
| 2 (CH2) | 40.24 |
| 3 (C) | 219.31 |
| 4 (CH) | 52.59 |
| 5 (CH) | 46.29 |
| 6 (CH2) | 37.79 |
| 7 (CH) | 53.15 |
| 8 (CH2) | 23.62 |
| 9 (CH2) | 39.73 |
| 10 (C) | 75.43 |
| 11 (C) | 72.27 |
| 12 (CH3) | 27.43 |
| 13 (CH3) | 27.62 |
| 14 (CH2) | 68.14 |
| 15 (CH3) | 13.24 |
