4-Nitrobenzyl kaur-16-en-19-oate

4-Nitrobenzyl kaur-16-en-19-oate

Common Name: 4-Nitrobenzyl kaur-16-en-19-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H35NO4/c1-18-15-27-14-11-22-25(2,23(27)10-7-20(18)16-27)12-4-13-26(22,3)24(29)32-17-19-5-8-21(9-6-19)28(30)31/h5-6,8-9,20,22-23H,1,4,7,10-17H2,2-3H3/t20-,22+,23+,25-,26-,27-/m1/s1

InChIKey: InChIKey=WNBLSZKKHNZLTK-UNBZNDSDSA-N

Formula: C27H35N1O4

Molecular Weight: 437.572158

Exact Mass: 437.256609

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) 41.2
2 (CH2) 19.8
3 (CH2) 38.7
4 (C) 44.4
5 (CH) 57.7
6 (CH2) 22.6
7 (CH2) 41.8
8 (C) 44.8
9 (CH) 55.6
10 (C) 40.1
11 (CH2) 19
12 (CH2) 33.7
13 (CH) 44.6
14 (CH2) 40.2
15 (CH2) 49.5
16 (C) 156.3
17 (CH2) 103.7
18 (CH3) 30.3
19 (C) 177.7
20 (CH3) 16.3
19a (CH2) 65.2
19b (C) 144.1
19c (CH) 129.2
19d (CH) 124.4
19e (C) 147.9
19f (CH) 124.4
19g (CH) 129.2