Spektraris NMR

Common Name: (4aS)-3,8beta-Dihydroxy-4abeta,5beta-dimethyl-5,6,7,8-tetrahydronaphthalene-2(4aH)-one

Synonyms: (4aS)-3,8beta-Dihydroxy-4abeta,5beta-dimethyl-5,6,7,8-tetrahydronaphthalene-2(4aH)-one

CAS Registry Number:

InChI: InChI=1S/C12H16O3/c1-7-3-4-9(13)8-5-10(14)11(15)6-12(7,8)2/h5-7,9,13,15H,3-4H2,1-2H3/t7-,9+,12+/m0/s1

InChIKey: InChIKey=YYZLPVJGLXFPJT-LPBBDHJYSA-N

Formula: C12H16O3

Molecular Weight: 208.254098

Exact Mass: 208.109944

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Li, P.L., Jia, Z.J. Helv Chim Acta (2008) 91, 1717-27

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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)