ent-1a,7b,14a-Triacethoxy-kaur-16-en-15-on

ent-1a,7b,14a-Triacethoxy-kaur-16-en-15-on

Common Name: ent-1a,7b,14a-Triacethoxy-kaur-16-en-15-on

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H36O7/c1-13-17-8-9-18-25(7)19(24(5,6)11-10-20(25)31-14(2)27)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=AXJMDVBISSHYGL-WFYXJCEMSA-N

Formula: C26H36O7

Molecular Weight: 460.560835

Exact Mass: 460.246104

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Minh, P.T., Ngoc, P.H., Quang, D.N., Hashimoto, T., Takaoka, S., Asakawa, Y. Chem Pharm Bull (2003) 51, 590-1

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 (CH) 72.8
2 (CH2) 22.6
3 (CH2) 34.9
4 (C) 33
5 (CH) 47.3
6 (CH2) 24.3
7 (CH) 73.8
8 (C) 60.9
9 (CH) 48.5
10 (C) 43
11 (CH2) 16.5
12 (CH2) 32.5
13 (CH) 44.2
14 (CH) 74.9
15 (C) 204.2
16 (C) 145.6
17 (CH2) 117.8
18 (CH3) 33.1
19 (CH3) 21.2
20 (CH3) 18.6
1a (C) 169.6
1b (CH3) 21.4
7a (C) 170.3
7b (CH3) 21.4
14a (C) 170.8
14b (CH3) 21.4