Spektraris NMR

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H26O5/c1-13(2,18)9-4-5-15(20,8-16)11-7-12(17)14(3,19)10(11)6-9/h9-11,16,18-20H,4-8H2,1-3H3/t9-,10-,11+,14+,15-/m1/s1

InChIKey: InChIKey=OOOHHEYUUOCWGG-HFLGISGGSA-N

Formula: C15H26O5

Molecular Weight: 286.364523

Exact Mass: 286.178024

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)