(3aS)-3-Methylene-6alpha-methyl-9-[(beta-D-glucopyranosyloxy)methyl]-3,3abeta,4,5,6,6aalpha,9abeta,9balpha-octahydroazuleno[4,5-b]furan-2,7-dione

(3aS)-3-Methylene-6alpha-methyl-9-[(beta-D-glucopyranosyloxy)methyl]-3,3abeta,4,5,6,6aalpha,9abeta,9balpha-octahydroazuleno[4,5-b]furan-2,7-dione

Common Name: (3aS)-3-Methylene-6alpha-methyl-9-[(beta-D-glucopyranosyloxy)methyl]-3,3abeta,4,5,6,6aalpha,9abeta,9balpha-octahydroazuleno[4,5-b]furan-2,7-dione

Synonyms: (3aS)-3-Methylene-6alpha-methyl-9-[(beta-D-glucopyranosyloxy)methyl]-3,3abeta,4,5,6,6aalpha,9abeta,9balpha-octahydroazuleno[4,5-b]furan-2,7-dione

CAS Registry Number:

InChI: InChI=1S/C21H28O9/c1-8-3-4-11-9(2)20(27)30-19(11)15-10(5-12(23)14(8)15)7-28-21-18(26)17(25)16(24)13(6-22)29-21/h5,8,11,13-19,21-22,24-26H,2-4,6-7H2,1H3/t8-,11-,13+,14-,15-,16+,17-,18+,19-,21+/m0/s1

InChIKey: InChIKey=AWUZOKJLIBMIIC-HLKMIBDASA-N

Formula: C21H28O9

Molecular Weight: 424.442439

Exact Mass: 424.173332

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Zidorn, C., Ellmerer-Muller, E.P., Ongania, K.H., Sturm, S., Stuppner, H. J Nat Prod (2000) 63, 812-6

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) 56.5
2 (C) 209
3 (CH) 130
4 (C) 175.4
5 (CH) 51.8
6 (CH) 87.7
7 (CH) 54.3
8 (CH2) 20.1
9 (CH2) 36.3
10 (CH) 31.7
11 (C) 141
12 (C) 171.7
13 (CH2) 118.1
14 (CH3) 21.9
15 (CH2) 69.7
1' (CH) 104.2
2' (CH) 75.1
3' (CH) 78
4' (CH) 71.5
5' (CH) 78
6' (CH2) 62.6