4aalpha,5,6,7,8,8abeta-Hexahydro-5alpha-[(S)-2-hydroxy-1-methylethyl]-3-methyl-8-methylenenaphthalene-2(1H)-one

4aalpha,5,6,7,8,8abeta-Hexahydro-5alpha-[(S)-2-hydroxy-1-methylethyl]-3-methyl-8-methylenenaphthalene-2(1H)-one

Common Name: 4aalpha,5,6,7,8,8abeta-Hexahydro-5alpha-[(S)-2-hydroxy-1-methylethyl]-3-methyl-8-methylenenaphthalene-2(1H)-one

Synonyms: 4aalpha,5,6,7,8,8abeta-Hexahydro-5alpha-[(S)-2-hydroxy-1-methylethyl]-3-methyl-8-methylenenaphthalene-2(1H)-one

CAS Registry Number:

InChI: InChI=1S/C15H22O2/c1-9-4-5-12(11(3)8-16)14-6-10(2)15(17)7-13(9)14/h6,11-14,16H,1,4-5,7-8H2,2-3H3/t11-,12+,13+,14+/m1/s1

InChIKey: InChIKey=RYHRGDZFFRXJGH-RFGFWPKPSA-N

Formula: C15H22O2

Molecular Weight: 234.334545

Exact Mass: 234.16198

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Collins, D.O., Ruddock, P.L., Chiverton de Grasse, J., Reynolds, W.F., Reese, P.B. Phytochemistry (2002) 59, 479-88

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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 (CH) 45.1
2 (CH2) 41.3
3 (C) 199.9
4 (C) 135.7
5 (CH) 146
6 (CH) 44.6
7 (CH) 40.1
8 (CH2) 26.6
9 (CH2) 35.2
10 (C) 149.6
11 (CH) 34.6
12 (CH3) 10.2
13 (CH2) 66.4
14 (CH3) 15.9
15 (CH2) 105.5