(4S)-4-Isopropyl-6-methyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-one

(4S)-4-Isopropyl-6-methyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-one

Common Name: (4S)-4-Isopropyl-6-methyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-one

Synonyms: (4S)-4-Isopropyl-6-methyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-one

CAS Registry Number:

InChI: InChI=1S/C15H20O2/c1-9(2)11-5-6-14(16)13-8-15(17-4)10(3)7-12(11)13/h7-9,11H,5-6H2,1-4H3/t11-/m0/s1

InChIKey: InChIKey=NUHLSFVRQWRAGK-NSHDSACASA-N

Formula: C15H20O2

Molecular Weight: 232.318663

Exact Mass: 232.14633

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Morimoto, M., Cantrell, C.L., Libous-Bailey, L., Duke, S.O. Phytochemistry (2009) 70, 69-74

Species:

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

Carbon NMR Peaks

Position PPM
1 (C) 140.3
2 (CH) 107.2
3 (C) 156.7
4 (C) 133.2
5 (CH) 131.2
6 (C) 131.4
7 (CH) 44.2
8 (CH2) 24.6
9 (CH2) 35.4
10 (C) 198.8
11 (CH) 30.5
12 (CH3) 21.8
13 (CH3) 20
14 (CH3) 17
3a (CH3) 55.7