(2R,3R,5R,7R,10S)-Atractyloside G 2-O-b -D-Glucopyranoside

(2R,3R,5R,7R,10S)-Atractyloside G 2-O-b -D-Glucopyranoside

Common Name: (2R,3R,5R,7R,10S)-Atractyloside G 2-O-b -D-Glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H46O13/c1-11-13-7-12(26(2,3)40-25-23(36)21(34)19(32)16(10-29)39-25)5-6-27(13,4)8-14(17(11)30)37-24-22(35)20(33)18(31)15(9-28)38-24/h12-25,28-36H,1,5-10H2,2-4H3/t12-,13+,14-,15-,16-,17-,18-,19-,20+,21+,22-,23-,24-,25+,27+/m1/s1

InChIKey: InChIKey=AASRSGDPYRSOIV-UGCRMHLPSA-N

Formula: C27H46O13

Molecular Weight: 578.647408

Exact Mass: 578.293842

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 : 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) 46.6
2 (CH) 83.74
3 (CH) 76.91
4 (C) 150.24
5 (CH) 48.05
6 (CH2) 25.23
7 (CH) 48.56
8 (CH2) 22.15
9 (CH2) 40.82
10 (C) 35.16
11 (C) 79.41
12 (CH3) 24.09
13 (CH3) 24.79
14 (CH3) 17.41
15 (CH2) 106.02
1' (CH) 98.72
2' (CH) 75.43
3' (CH) 78.97
4' (CH) 72.03
5' (CH) 78.06
6' (CH2) 63.16
1'' (CH) 104.12
2'' (CH) 74.94
3'' (CH) 78.65
4'' (CH) 71.63
5'' (CH) 78.47
6'' (CH2) 62.55