(3b,7a,14b)-3,7,14-Tris(acetyloxy)-ent-kaur-16-en-15-one

(3b,7a,14b)-3,7,14-Tris(acetyloxy)-ent-kaur-16-en-15-one

Common Name: (3b,7a,14b)-3,7,14-Tris(acetyloxy)-ent-kaur-16-en-15-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H36O7/c1-13-17-8-9-18-25(7)11-10-20(31-14(2)27)24(5,6)19(25)12-21(32-15(3)28)26(18,22(13)30)23(17)33-16(4)29/h17-21,23H,1,8-12H2,2-7H3/t17-,18-,19+,20-,21+,23-,25-,26-/m0/s1

InChIKey: InChIKey=QDJYAZRKGCBLCJ-ITOKCPPKSA-N

Formula: C26H36O7

Molecular Weight: 460.560835

Exact Mass: 460.246104

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ding, L., Zhang, Z.J., Liu, G.A., Yang, D.J., Guo, G.C., Wang, H., Sun, K. Helv Chim Acta (2005) 88, 2502-7

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) 33.1
2 (CH2) 22.5
3 (CH) 77.1
4 (C) 36.6
5 (CH) 47.3
6 (CH2) 23.8
7 (CH) 75.8
8 (C) 61.9
9 (CH) 55.7
10 (C) 39.8
11 (CH2) 17.2
12 (CH2) 32.2
13 (CH) 44.1
14 (CH) 75
15 (C) 204
16 (C) 145.6
17 (CH2) 118.2
18 (CH3) 27.6
19 (CH3) 21
20 (CH3) 17.9
3a (C) 168
3b (CH3) 20.9
7a (C) 170.6
7b (CH3) 21.4
28a (C) 170.9
28b (CH3) 21.7