(1E,4E,7beta)-2beta-Acetoxy-6beta-[(2-O,3-O,4-O,6-O-tetraacetyl-beta-D-glucopyranosyl)oxy]-11-hydroxygermacra-1(10),4-diene

(1E,4E,7beta)-2beta-Acetoxy-6beta-[(2-O,3-O,4-O,6-O-tetraacetyl-beta-D-glucopyranosyl)oxy]-11-hydroxygermacra-1(10),4-diene

Common Name: (1E,4E,7beta)-2beta-Acetoxy-6beta-[(2-O,3-O,4-O,6-O-tetraacetyl-beta-D-glucopyranosyl)oxy]-11-hydroxygermacra-1(10),4-diene

Synonyms: (1E,4E,7beta)-2beta-Acetoxy-6beta-[(2-O,3-O,4-O,6-O-tetraacetyl-beta-D-glucopyranosyl)oxy]-11-hydroxygermacra-1(10),4-diene

CAS Registry Number:

InChI: InChI=1S/C31H46O13/c1-16-10-11-24(31(8,9)37)25(14-17(2)13-23(12-16)39-19(4)33)43-30-29(42-22(7)36)28(41-21(6)35)27(40-20(5)34)26(44-30)15-38-18(3)32/h12,14,23-30,37H,10-11,13,15H2,1-9H3/b16-12+,17-14+/t23-,24+,25-,26+,27+,28-,29+,30+/m0/s1

InChIKey: InChIKey=CYYSSBXWOLRUQF-OGPNBBALSA-N

Formula: C31H46O13

Molecular Weight: 626.690352

Exact Mass: 626.293842

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kisiel, W., Janeczko, Z., Zgud-Walaszek, M. Phytochemistry (1998) 49, 2031-3

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) 128.32
2 (CH) 69.29
3 (CH2) 44.78
4 (C) 130.55
5 (CH) 133.97
6 (CH) 81.55
7 (CH) 50.06
8 (CH2) 25.72
9 (CH2) 36.11
10 (C) 139.92
11 (C) 72.74
12 (CH3) 28.24
13 (CH3) 29.33
14 (CH3) 22.62
15 (CH3) 17.24
1' (CH) 100.94
2' (CH) 71.52
3' (CH) 73
4' (CH) 68.47
5' (CH) 72.01
6' (CH2) 62.22
2a (C) 169.31
2b (CH3) 20.51
2'a (C) 169.51
2'b (CH3) 20.51
3'a (C) 170.2
3'b (CH3) 20.71
4'a (C) 170.48
4'b (CH3) 20.71
6'a (C) 170.58
6'b (CH3) 21.24