Abbeokutone

Abbeokutone

Common Name: Abbeokutone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O3/c1-17(2)14-6-9-19-10-13(20(23,11-19)12-21)4-5-15(19)18(14,3)8-7-16(17)22/h13-15,21,23H,4-12H2,1-3H3/t13-,14-,15+,18-,19+,20+/m1/s1

InChIKey: InChIKey=MPDUJZZNNBJFAB-IPWGKGBGSA-N

Formula: C20H32O3

Molecular Weight: 320.467037

Exact Mass: 320.235145

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Liu, G., Muller, R., Ruedi, P. Helv Chim Acta (2003) 86, 420-38

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) 39.2
2 (CH2) 34
3 (C) 217.9
4 (C) 47.2
5 (CH) 54.3
6 (CH2) 21.6
7 (CH2) 40.9
8 (C) 44.4
9 (CH) 55.4
10 (C) 38.5
11 (CH2) 18.8
12 (CH2) 26
13 (CH) 45.3
14 (CH2) 36.9
15 (CH2) 52.8
16 (C) 81.7
17 (CH2) 66.3
18 (CH3) 27.2
19 (CH3) 20.9
20 (CH3) 17.8