Rigidone

Rigidone

Common Name: Rigidone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H20O3/c1-9(2)6-5-7-10(3)13-12(16)8-11(4)14(17)15(13)18/h6,8,10,16H,5,7H2,1-4H3/t10-/m0/s1

InChIKey: InChIKey=FVXKLVZJMMKIKS-JTQLQIEISA-N

Formula: C15H20O3

Molecular Weight: 248.318068

Exact Mass: 248.141245

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Freyer, A.J., Patil, A.D., Killmer, L., Zuber, G., Myers, C., Johnson, R.K. J Nat Prod (1997) 60, 309-11

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) 187.4
2 (C) 184.3
3 (C) 140.5
4 (CH) 135.8
5 (C) 151
6 (C) 124.6
7 (CH) 29.3
8 (CH2) 34.1
9 (CH2) 26.7
10 (CH) 124.5
11 (C) 131.3
12 (CH3) 17.6
13 (CH3) 25.7
14 (CH3) 18.2
15 (CH3) 14.7