Compactone

Compactone

Common Name: Compactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O2/c1-6-18(4)11-8-14-19(5)10-7-9-17(2,3)15(19)12-16(21)20(14,22)13-18/h6,14-15,22H,1,7-13H2,2-5H3/t14-,15+,18+,19-,20-/m1/s1

InChIKey: InChIKey=LYKJEJVAXSGWAJ-GOKSDJKOSA-N

Formula: C20H32O2

Molecular Weight: 304.467632

Exact Mass: 304.24023

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Pinto, A.C., Silva, A.J.R., Mayer, L.M.U. Phytochemistry (1979) 18, 2036

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) 39.7
2 (CH2) 18.5
3 (CH2) 41.9
4 (C) 33.8
5 (CH) 56.2
6 (CH2) 38.3
7 (C) 190.9
8 (C) 76.4
9 (CH) 59.1
10 (C) 37.6
11 (CH2) 17.1
12 (CH2) 35.3
13 (C) 36.7
14 (CH2) 43
15 (CH) 151.7
16 (CH2) 108.6
17 (CH3) 24.8
18 (CH3) 32.9
19 (CH3) 24.3
20 (CH3) 15.5