(3aR,3abeta,6abeta,9abeta,9balpha)-Decahydro-4alpha-(2-ethyl-2-hydroxy-1,3-dioxobutoxy)-3,6,9-tris(methylene)-8alpha-(beta-D-glucopyranosyloxy)azuleno[4,5-b]furan-2(3H)-one

(3aR,3abeta,6abeta,9abeta,9balpha)-Decahydro-4alpha-(2-ethyl-2-hydroxy-1,3-dioxobutoxy)-3,6,9-tris(methylene)-8alpha-(beta-D-glucopyranosyloxy)azuleno[4,5-b]furan-2(3H)-one

Common Name: (3aR,3abeta,6abeta,9abeta,9balpha)-Decahydro-4alpha-(2-ethyl-2-hydroxy-1,3-dioxobutoxy)-3,6,9-tris(methylene)-8alpha-(beta-D-glucopyranosyloxy)azuleno[4,5-b]furan-2(3H)-one

Synonyms: (3aR,3abeta,6abeta,9abeta,9balpha)-Decahydro-4alpha-(2-ethyl-2-hydroxy-1,3-dioxobutoxy)-3,6,9-tris(methylene)-8alpha-(beta-D-glucopyranosyloxy)azuleno[4,5-b]furan-2(3H)-one

CAS Registry Number:

InChI: InChI=1S/C27H36O12/c1-6-27(35,13(5)29)26(34)38-16-7-10(2)14-8-15(11(3)18(14)23-19(16)12(4)24(33)39-23)36-25-22(32)21(31)20(30)17(9-28)37-25/h14-23,25,28,30-32,35H,2-4,6-9H2,1,5H3/t14-,15-,16+,17+,18-,19+,20+,21-,22+,23+,25+,27?/m0/s1

InChIKey: InChIKey=XDAZDQCYXFAYEX-YTUTUHIYSA-N

Formula: C27H36O12

Molecular Weight: 552.568595

Exact Mass: 552.220677

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Kisie, W., Zielinska, K., Joshi, S.P. Phytochemistry (2000) 54, 763-6

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) 44.3
2 (CH2) 38.2
3 (CH) 80.6
4 (C) 150.6
5 (CH) 49.8
6 (CH) 78.9
7 (CH) 47.9
8 (CH) 69.7
9 (CH2) 40.6
10 (C) 143.4
11 (C) 136
12 (C) 169.4
13 (CH2) 121.8
14 (CH2) 117.4
15 (CH2) 111.5
1' (CH) 104.7
2' (CH) 75.3
3' (CH) 78.6
4' (CH) 71.7
5' (CH) 78.5
6' (CH2) 62.8
8a (C) 171.6
8b (C) 85.3
8c (C) 206.7
8d (CH3) 25.7
8ba (CH2) 28.9
8bb (CH3) 8