3-O-β-D-Glucopyranosyl-14,19-dideoxyandrographolide

3-O-β-D-Glucopyranosyl-14,19-dideoxyandrographolide

Common Name: 3-O-β-D-Glucopyranosyl-14,19-dideoxyandrographolide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H40O8/c1-14-5-8-18-25(2,3)19(34-24-22(30)21(29)20(28)17(13-27)33-24)9-11-26(18,4)16(14)7-6-15-10-12-32-23(15)31/h10,16-22,24,27-30H,1,5-9,11-13H2,2-4H3/t16-,17-,18-,19-,20-,21+,22-,24+,26+/m1/s1

InChIKey: InChIKey=PSPNWQVUNLLFDJ-UGDXCDMNSA-N

Formula: C26H40O8

Molecular Weight: 480.592003

Exact Mass: 480.272318

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Shen, Y.H., Li, R.T., Xiao, W.L., Xu, G., Lin, Z.W., Zhao, Q.S., Sun, H.D. J Nat Prod (2006) 69, 319-22

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 37
2 (CH2) 24.3
3 (CH) 84.8
4 (C) 38.9
5 (CH) 55.1
6 (CH2) 24.3
7 (CH2) 38.4
8 (C) 148.3
9 (CH) 56.3
10 (C) 39.5
11 (CH2) 22.3
12 (CH2) 25.1
13 (C) 134.2
14 (CH) 145.7
15 (CH2) 70.8
16 (C) 174.8
17 (CH2) 107.2
18 (CH3) 28.8
19 (CH3) 17
20 (CH3) 14.7
1' (CH) 102.5
2' (CH) 75.2
3' (CH) 78.7
4' (CH) 72.1
5' (CH) 78.5
6' (CH2) 63.3