5R,8R-2-Oxokolavenic acid

5R,8R-2-Oxokolavenic acid

Common Name: 5R,8R-2-Oxokolavenic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)11-16(21)12-17(19)20/h10-11,14,17H,6-9,12H2,1-5H3,(H,22,23)/b13-10+/t14-,17+,19-,20+/m1/s1

InChIKey: InChIKey=SLMFLTPPPXRYHP-PECOGNCOSA-N

Formula: C20H30O3

Molecular Weight: 318.451155

Exact Mass: 318.219495

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Cavin, A.L., Hay, A.E., Marston, A., Stoeckli-Evans, H., Scopelliti, R., Diallo, D., Hostettmann, K. J Nat Prod (2006) 69, 768-73

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 35.7
2 (C) 198.8
3 (CH) 128.7
4 (C) 169.4
5 (C) 39.8
6 (CH2) 30.1
7 (CH2) 26.9
8 (CH) 35.6
9 (C) 39.3
10 (CH) 47.2
11 (CH2) 36.7
12 (CH2) 34.8
13 (C) 164.4
14 (CH) 115.2
15 (C) 171.8
16 (CH3) 19.5
17 (CH3) 14.6
18 (CH3) 21.1
19 (CH3) 31.2
20 (CH3) 22.9