M1-13-O-β-D -glucopyranoside

M1-13-O-β-D -glucopyranoside

Common Name: M1-13-O-β-D -glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O8/c1-9(8-27-20-19(26)18(25)17(24)15(7-21)28-20)11-3-4-12-6-14(22)16(23)10(2)13(12)5-11/h10-11,14-26H,1,3-8H2,2H3/t10-,11+,14+,15-,16+,17-,18+,19-,20-/m0/s1

InChIKey: InChIKey=HIHVXHJRYGPDJD-HAVQTZKJSA-N

Formula: C20H32O8

Molecular Weight: 400.464061

Exact Mass: 400.209718

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Feng, X., Wang, J.S., Luo, J., Kong, L.Y. J Asian Nat Prod Res (2009) 11, 675-80

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) 39.5
2 (CH) 71.6
3 (CH) 79.2
4 (CH) 42.6
5 (C) 129.6
6 (CH2) 31.7
7 (CH) 36.2
8 (CH2) 26.8
9 (CH2) 29.7
10 (C) 125.4
11 (C) 149.2
12 (CH2) 110.6
13 (CH2) 71
14 (CH3) 16.8
1' (CH) 103.6
2' (CH) 75.2
3' (CH) 78.5
4' (CH) 71.7
5' (CH) 78.6
6' (CH2) 62.8