[(1S,9R)-2-Methyl-10-methylene-4,11-dioxo-12-oxatricyclo[7.3.1.01,5]trideca-2,5-dien-6-yl]methyl β-L-glucopyranoside

[(1S,9R)-2-Methyl-10-methylene-4,11-dioxo-12-oxatricyclo[7.3.1.01,5]trideca-2,5-dien-6-yl]methyl β-L-glucopyranoside

Common Name: [(1S,9R)-2-Methyl-10-methylene-4,11-dioxo-12-oxatricyclo[7.3.1.01,5]trideca-2,5-dien-6-yl]methyl β-L-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H26O9/c1-9-5-13(23)15-12(4-3-11-6-21(9,15)30-19(27)10(11)2)8-28-20-18(26)17(25)16(24)14(7-22)29-20/h5,11,14,16-18,20,22,24-26H,2-4,6-8H2,1H3/t11-,14-,16-,17+,18-,20-,21+/m1/s1

InChIKey: InChIKey=OGBHHUAQJLETIY-ADJBLJIQSA-N

Formula: C21H26O9

Molecular Weight: 422.426558

Exact Mass: 422.157682

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Zidorn, C., Ellmerer-Muller, E.P., Stuppner, H. Phytochemistry (1998) 49, 797-800

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 (C) 136.4
2 (C) 194.7
3 (CH) 134.7
4 (C) 170.6
5 (C) 89.9
6 (CH2) 32.6
7 (CH) 38.2
8 (CH2) 34.5
9 (CH2) 25.7
10 (C) 154.1
11 (C) 138.3
12 (C) 165.9
13 (CH2) 130.9
14 (CH2) 68.3
15 (CH3) 11.9
1da (CH) 104.5
1db (CH) 74.5
1dc (CH) 78.3
1dd (CH) 71.5
1de (CH) 78.3
1df (CH2) 61.8