Common Name: 3-(2'-Hydroxyethyl)-5-(2''-hydroxypropyl)-dihydrofuran-2(3H)-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C9H16O4/c1-6(11)4-8-5-7(2-3-10)9(12)13-8/h6-8,10-11H,2-5H2,1H3
InChIKey: InChIKey=FWOZSTFAXJAMFE-UHFFFAOYSA-N
Formula: C9H16O4
Molecular Weight: 188.221295
Exact Mass: 188.104859
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Gouda, Y.G., Abdel-baky, A.M., Darwish, F.M., Mohamed, K.M., Kasai, R., Yamasaki, K. Phytochemistry (2003) 63, 887-92
Species:
Notes: Family : Miscellanea, Type : Butanolides; 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)
Position | PPM |
---|---|
2 (C) | 179.2 |
3 (CH) | 40 |
4 (CH2) | 36 |
5 (CH) | 84.5 |
3a (CH2) | 36.1 |
3b (CH2) | 60.9 |
5a (CH2) | 44.9 |
5b (CH) | 65.3 |
5c (CH3) | 24.3 |