Spektraris NMR

Common Name: (4aR)-4aalpha,8-Dimethyl-5alpha,8alpha-dihydroxy-1,2,4a,5,6,7,8,8abeta-octahydronaphthalene-2-one

Synonyms: (4aR)-4aalpha,8-Dimethyl-5alpha,8alpha-dihydroxy-1,2,4a,5,6,7,8,8abeta-octahydronaphthalene-2-one

CAS Registry Number:

InChI: InChI=1S/C12H18O3/c1-11-5-3-8(13)7-9(11)12(2,15)6-4-10(11)14/h3,5,9-10,14-15H,4,6-7H2,1-2H3/t9-,10-,11-,12+/m1/s1

InChIKey: InChIKey=MUCHMZHLNORELV-KKOKHZNYSA-N

Formula: C12H18O3

Molecular Weight: 210.269979

Exact Mass: 210.125594

NMR Solvent: CD3OD

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)