Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H22O9/c1-9(23)31-22-17-15(29-17)14(30-19(22)26)16-20(2,7-12(24)10-4-5-27-8-10)11-6-13(21(16,22)3)28-18(11)25/h4-5,8,11,13-17H,6-7H2,1-3H3/t11-,13-,14+,15-,16+,17-,20+,21+,22-/m0/s1

InChIKey: InChIKey=UPQKOUQHSNCEKI-JJVHVFIFSA-N

Formula: C22H22O9

Molecular Weight: 430.405531

Exact Mass: 430.126382

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Naengchomnong, W., Pinho, P.M., Kijjoa, A., Sawangwong, P., Gonzalez, M.J., Silva, A.M., Eaton, G., Herz, W. Phytochemistry (2006) 67, 1029-33

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 72.58
2 (CH) 50.44
3 (CH) 50.81
4 (C) 81.94
5 (C) 46
6 (CH) 78.28
7 (CH2) 29.9
8 (CH) 48.03
9 (C) 36.96
10 (CH) 49.69
11 (CH2) 51.81
12 (C) 193.45
13 (C) 128.09
14 (CH) 108.21
15 (CH) 147.78
16 (CH) 144.62
17 (C) 176.58
18 (C) 166.42
19 (CH3) 22.84
20 (CH3) 25.79
4a (C) 168.42
4b (CH3) 20.97