(1S,4S,5R,7R,10R)-11,14-Dihydroxyguai-3-one

(1S,4S,5R,7R,10R)-11,14-Dihydroxyguai-3-one

Common Name: (1S,4S,5R,7R,10R)-11,14-Dihydroxyguai-3-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H26O3/c1-9-12-6-11(15(2,3)18)5-4-10(8-16)13(12)7-14(9)17/h9-13,16,18H,4-8H2,1-3H3/t9-,10-,11+,12-,13+/m0/s1

InChIKey: InChIKey=IOMGEBNDGAJFNH-IEECTRCBSA-N

Formula: C15H26O3

Molecular Weight: 254.365713

Exact Mass: 254.188195

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, 152-7

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) 43.82
2 (CH2) 45.61
3 (C) 218.89
4 (CH) 52.3
5 (CH) 48.98
6 (CH2) 35.76
7 (CH) 51.96
8 (CH2) 25.94
9 (CH2) 28.8
10 (CH) 48.37
11 (C) 72.3
12 (CH3) 27.52
13 (CH3) 27.61
14 (CH2) 66
15 (CH3) 12.59