ent-Kaur-16-en-19-oic acid

ent-Kaur-16-en-19-oic acid

Common Name: ent-Kaur-16-en-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1

InChIKey: InChIKey=NIKHGUQULKYIGE-OTCXFQBHSA-N

Formula: C20H30O2

Molecular Weight: 302.45175

Exact Mass: 302.22458

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Wu, Y.C., Hung, Y.C., Chang, F.R., Cosentino, M., Wang, H.K., Lee, K.H. J Nat Prod (1996) 59, 635-7

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) 41.8
2 (CH2) 19.6
3 (CH2) 38.3
4 (C) 44.2
5 (CH) 57.5
6 (CH2) 22.3
7 (CH2) 41.8
8 (C) 44.7
9 (CH) 55.6
10 (C) 41.2
11 (CH2) 18.9
12 (CH2) 33.6
13 (CH) 44.3
14 (CH2) 40.2
15 (CH2) 49.4
16 (C) 156.4
17 (CH2) 103.5
18 (CH3) 29.5
19 (C) 185
20 (CH3) 16.1