Benzyl kaur-16-en-19-oate

Benzyl kaur-16-en-19-oate

Common Name: Benzyl kaur-16-en-19-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H36O2/c1-19-16-27-15-12-22-25(2,23(27)11-10-21(19)17-27)13-7-14-26(22,3)24(28)29-18-20-8-5-4-6-9-20/h4-6,8-9,21-23H,1,7,10-18H2,2-3H3/t21-,22+,23+,25-,26-,27-/m1/s1

InChIKey: InChIKey=UIOSQOUZXUEMII-FARUWLQISA-N

Formula: C27H36O2

Molecular Weight: 392.574546

Exact Mass: 392.27153

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) 19.8
3 (CH2) 33.7
4 (C) 44.4
5 (CH) 57.8
6 (CH2) 22.5
7 (CH2) 41.9
8 (C) 44.8
9 (CH) 55.6
10 (C) 38.7
11 (CH2) 19
12 (CH2) 30.3
13 (CH) 44.5
14 (CH2) 40.1
15 (CH2) 49.5
16 (C) 156.4
17 (CH2) 103.6
18 (CH3) 29.5
19 (C) 177.8
20 (CH3) 16.2
19a (CH2) 66
19b (C) 136.8
19c (CH) 128.8
19d (CH) 129
19e (CH) 129.4
19f (CH) 129
19g (CH) 128.8