Petasinol

Petasinol

Common Name: Petasinol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C19H28O4S/c1-12(2)15-11-19(4)13(3)17(7-6-14(19)10-16(15)20)23-18(21)8-9-24(5)22/h8-10,13,15-17,20H,1,6-7,11H2,2-5H3/b9-8+/t13-,15-,16+,17+,19+,24?/m0/s1

InChIKey: InChIKey=OVLGYAHWOSBKJJ-GIYVPBTGSA-N

Formula: C19H28O4S1

Molecular Weight: 352.490028

Exact Mass: 352.17083

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Lin, Y.L., Mei, C.H., Huang, S.L., Kuo, Y.H. J Nat Prod (1998) 61, 887-90

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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 (CH2) 29.4
2 (CH2) 33.6
3 (CH) 76.8
4 (CH) 42.6
5 (C) 39
6 (CH2) 37.2
7 (CH) 47.2
8 (CH) 68.8
9 (CH) 123.9
10 (C) 145.7
11 (C) 144.6
12 (CH2) 112.8
13 (CH3) 19.8
14 (CH3) 22.1
15 (CH3) 11.8
3b (C) 163.4
3c (CH) 126.3
3d (CH) 150.7
3e (CH3) 39.7