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)
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 |