16a-Methoxykauran-19-oic acid

16a-Methoxykauran-19-oic acid

Common Name: 16a-Methoxykauran-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H34O3/c1-18-9-5-10-19(2,17(22)23)15(18)8-11-21-12-14(6-7-16(18)21)20(3,13-21)24-4/h14-16H,5-13H2,1-4H3,(H,22,23)/t14-,15+,16+,18-,19-,20+,21+/m1/s1

InChIKey: InChIKey=VYVVNCBNYVCVGC-SJIZYOMUSA-N

Formula: C21H34O3

Molecular Weight: 334.493654

Exact Mass: 334.250795

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Boeck, P., Sa, M.M., de Souza, B.S., Cercena, R., Escalante, A.M., Zachino, S.A., Cechinel, V., Yunes, R.A. J Braz Chem Soc (2005) 16, 1360-6

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) 41.3
2 (CH2) 19.7
3 (CH2) 37.8
4 (C) 43.9
5 (CH) 57.6
6 (CH2) 22.7
7 (CH2) 42.7
8 (C) 45.4
9 (CH) 55.2
10 (C) 38.4
11 (CH2) 19.1
12 (CH2) 29.6
13 (CH) 44.3
14 (CH2) 40.3
15 (CH2) 49.8
16 (C) 84.7
17 (CH3) 18.9
18 (CH3) 27.3
19 (C) 184.7
20 (CH3) 16.1
16a (CH3) 56.6