Methyl ent-12β-Acetoxy-16-kauren-19-oate

Methyl ent-12β-Acetoxy-16-kauren-19-oate

Common Name: Methyl ent-12β-Acetoxy-16-kauren-19-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H34O4/c1-14-12-23-10-7-18-21(3,8-6-9-22(18,4)20(25)26-5)19(23)11-17(16(14)13-23)27-15(2)24/h16-19H,1,6-13H2,2-5H3/t16?,17-,18-,19-,21+,22+,23+/m0/s1

InChIKey: InChIKey=VBXAAPVFPVKVFO-DSHXXCSWSA-N

Formula: C23H34O4

Molecular Weight: 374.514531

Exact Mass: 374.24571

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Gaspar-Marques, C., Simoes, M.F., Duarte, A., Rodriguez, B. J Nat Prod (2003) 66, 491-6

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) 40.57
2 (CH2) 18.91
3 (CH2) 37.93
4 (C) 43.85
5 (CH) 56.8
6 (CH2) 21.77
7 (CH2) 41.02
8 (C) 43.18
9 (CH) 55.26
10 (C) 38.42
11 (CH2) 23.25
12 (CH) 73.79
13 (CH) 48.01
14 (CH2) 33.78
15 (CH2) 49
16 (C) 150.98
17 (CH2) 106.34
18 (CH3) 28.83
19 (C) 178.07
20 (CH3) 13.8
12a (C) 170.42
12b (CH3) 21.6
19a (CH3) 51.2