19-Formyl-ent-kauran-17-oic acid

19-Formyl-ent-kauran-17-oic acid

Common Name: 19-Formyl-ent-kauran-17-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O3/c1-18(12-21)7-3-8-19(2)15(18)6-9-20-10-13(4-5-16(19)20)14(11-20)17(22)23/h12-16H,3-11H2,1-2H3,(H,22,23)/t13-,14-,15-,16+,18+,19-,20+/m1/s1

InChIKey: InChIKey=KVKFKHMIIMGSRS-ZDHQBLGZSA-N

Formula: C20H30O3

Molecular Weight: 318.451155

Exact Mass: 318.219495

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) 41.5
2 (CH2) 18.3
3 (CH2) 34.2
4 (C) 48.4
5 (CH) 56.6
6 (CH2) 20
7 (CH2) 41.4
8 (C) 44.2
9 (CH) 55.5
10 (C) 39.3
11 (CH2) 18.1
12 (CH2) 27.1
13 (CH) 39.5
14 (CH2) 39.7
15 (CH2) 40.8
16 (CH) 45.3
17 (C) 180.5
18 (CH3) 24.2
19 (CH) 206
20 (CH3) 16.3