Spektraris NMR

Common Name: (4S)-4alpha-Hydroxy-4,8aalpha-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-dione

Synonyms: (4S)-4alpha-Hydroxy-4,8aalpha-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-dione

CAS Registry Number:

InChI: InChI=1S/C12H16O3/c1-11-5-3-8(13)7-9(11)12(2,15)6-4-10(11)14/h7,15H,3-6H2,1-2H3/t11-,12+/m1/s1

InChIKey: InChIKey=OQEKJZFTTUNKRZ-NEPJUHHUSA-N

Formula: C12H16O3

Molecular Weight: 208.254098

Exact Mass: 208.109944

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Henchiri, H., Bodo, B., Deville, A., Dubost, L., Zourgui, L., Raies, A., Grellier, P., Mambu, L. Phytochemistry (2009) 70, 1435-41

Species:

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