Atractyloside A 14-O-b -D-Fructofuranoside

Atractyloside A 14-O-b -D-Fructofuranoside

Common Name: Atractyloside A 14-O-b -D-Fructofuranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H46O15/c1-24(2,42-23-21(35)20(34)18(32)15(8-28)40-23)12-4-5-26(38,14-7-17(31)25(3,37)13(14)6-12)11-39-27(10-30)22(36)19(33)16(9-29)41-27/h12-16,18-23,28-30,32-38H,4-11H2,1-3H3/t12-,13-,14+,15-,16-,18-,19-,20+,21-,22+,23+,25+,26+,27-/m1/s1

InChIKey: InChIKey=DOVPOPWCZBPBQQ-HKSXIDQLSA-N

Formula: C27H46O15

Molecular Weight: 610.646218

Exact Mass: 610.283671

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Kitajima, J., Kamoshita, A., Ishikawa, T., Takano, A., Fukuda, T., Isoda, S., Ida, Y. Chem Pharm Bull (2003) 51, 673-8

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) 44.32
2 (CH2) 36.15
3 (C) 220.26
4 (C) 80.94
5 (CH) 46.54
6 (CH2) 29.8
7 (CH) 49.01
8 (CH2) 23.23
9 (CH2) 35.89
10 (C) 73.74
11 (C) 80.87
12 (CH3) 24.27
13 (CH3) 24.49
14 (CH2) 69.53
15 (CH3) 19.08
1' (CH) 98.63
2' (CH) 75.42
3' (CH) 78.82
4' (CH) 71.64
5' (CH) 78.14
6' (CH2) 62.66
1'' (CH2) 63.53
2'' (C) 105.5
3'' (CH) 79.04
4'' (CH) 76.32
5'' (CH) 83.58
6'' (CH2) 62.99