3-O-(2,3-Dimethylbutanoyl)-13-octanoyloxyingenol

3-O-(2,3-Dimethylbutanoyl)-13-octanoyloxyingenol

Common Name: 3-O-(2,3-Dimethylbutanoyl)-13-octanoyloxyingenol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C34H52O8/c1-9-10-11-12-13-14-25(36)42-33-17-21(5)32-16-20(4)29(41-30(39)22(6)19(2)3)34(32,40)27(37)23(18-35)15-24(28(32)38)26(33)31(33,7)8/h15-16,19,21-22,24,26-27,29,35,37,40H,9-14,17-18H2,1-8H3/t21-,22?,24+,26-,27-,29+,32+,33+,34+/m1/s1

InChIKey: InChIKey=HPALJQSDBYRKNK-YSKOKXEESA-N

Formula: C34H52O8

Molecular Weight: 588.773179

Exact Mass: 588.366219

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Lu, Z.Q., Yang, M., Zhang, J.Q., Chen, G.T., Huang, H.L., Guan, S.H., Ma, C., Liu, X., Guo, D.A. Phytochemistry (2008) 69, 812-9

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Ingenanes; 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) 131.5
2 (C) 136.2
3 (CH) 82.6
4 (C) 84.5
5 (CH) 76.9
6 (C) 139.6
7 (CH) 127.3
8 (CH) 42.7
9 (C) 205.8
10 (C) 71.9
11 (CH) 37.5
12 (CH2) 34.4
13 (C) 69
14 (CH) 28.3
15 (C) 30.3
16 (CH3) 22.5
17 (CH3) 16.7
18 (CH3) 18.2
19 (CH3) 15.4
20 (CH2) 67.2
3a (C) 177.6
3b (CH) 46.5
3c (CH) 31
3d (CH3) 20.7
3e (CH3) 14.06
3f (CH3) 19.2
13a (C) 174
13b (CH2) 34.4
13c (CH2) 24.8
13d (CH2) 29.2
13e (CH2) 28.9
13f (CH2) 31.6
13g (CH2) 22.6
13h (CH3) 14