15-Oxokaur-16-en-19-oic acid

15-Oxokaur-16-en-19-oic acid

Common Name: 15-Oxokaur-16-en-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-15H,1,4-11H2,2-3H3,(H,22,23)/t13-,14+,15+,18-,19-,20-/m1/s1

InChIKey: InChIKey=WQBNGXOJBVBQKP-SUIOEDAWSA-N

Formula: C20H28O3

Molecular Weight: 316.435274

Exact Mass: 316.203845

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Deoliveira, A.B., Hanson, J.R., Takahashi, J.A. Phytochemistry (1995) 40, 439.42

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) 39.9
2 (CH2) 18.8
3 (CH2) 37.7
4 (C) 43.6
5 (CH) 56.9
6 (CH2) 20.1
7 (CH2) 32.2
8 (C) 52.5
9 (CH) 51.6
10 (C) 40.3
11 (CH2) 18.4
12 (CH2) 33.7
13 (CH) 38.1
14 (CH2) 36.6
15 (C) 210.7
16 (C) 149.5
17 (CH2) 114.5
18 (CH3) 28.9
19 (C) 192.6
20 (CH3) 15.6