Obtusal A

Obtusal A

Common Name: Obtusal A

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O4/c1-16(7-5-9-18(3)14-21)11-12-24-20(23)13-17(2)8-6-10-19(4)15-22/h9-10,14-17H,5-8,11-13H2,1-4H3/b18-9+,19-10+/t16-,17-/m1/s1

InChIKey: InChIKey=SOBOYKNHEAFZOH-DNUWIBLISA-N

Formula: C20H32O4

Molecular Weight: 336.466442

Exact Mass: 336.23006

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kuo, Y.H., Chen, C.H., Wein, Y.S. Helv Chim Acta (2002) 85, 2657-63

Species:

Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Dimethyloctanes; 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) 172.8
2 (CH2) 41.6
3 (CH) 30
4 (CH2) 35.3
5 (CH2) 26.4
6 (CH) 154.4
7 (C) 139.4
8 (CH) 195.2
9 (CH3) 9.2
10 (CH3) 19.5
1' (CH2) 62.5
2' (CH2) 35
3' (CH) 29.6
4' (CH2) 35.3
5' (CH2) 26.4
6' (CH) 154
7' (C) 139.5
8' (CH) 195.2
9' (CH3) 9.2
10' (CH3) 19.2