3-O-β-D-glucopyranosylandrographolide

3-O-β-D-glucopyranosylandrographolide

Common Name: 3-O-β-D-glucopyranosylandrographolide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H40O10/c1-13-4-7-18-25(2,15(13)6-5-14-16(29)11-34-23(14)33)9-8-19(26(18,3)12-28)36-24-22(32)21(31)20(30)17(10-27)35-24/h5,15-22,24,27-32H,1,4,6-12H2,2-3H3/b14-5+/t15-,16-,17-,18+,19-,20-,21+,22-,24+,25+,26+/m1/s1

InChIKey: InChIKey=ZWUABKNXVCUVCG-HHPBHMTBSA-N

Formula: C26H40O10

Molecular Weight: 512.590813

Exact Mass: 512.262148

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) 37.1
2 (CH2) 23.8
3 (CH) 85.5
4 (C) 43.5
5 (CH) 55.7
6 (CH2) 24.7
7 (CH2) 38.3
8 (C) 148.1
9 (CH) 56.3
10 (C) 39.1
11 (CH2) 25.1
12 (CH) 147.1
13 (C) 130.2
14 (CH) 66
15 (CH2) 75.5
16 (C) 170.9
17 (CH2) 108.8
18 (CH3) 23.6
19 (CH2) 63.7
20 (CH3) 14.9
1' (CH) 101.3
2' (CH) 75.2
3' (CH) 78.7
4' (CH) 71.9
5' (CH) 78.7
6' (CH2) 63.1