10'-O-[β-Glucopyranosyl-(1-6)-β-glucopyranosyl]karatavicinol

10'-O-[β-Glucopyranosyl-(1-6)-β-glucopyranosyl]karatavicinol

Common Name: 10'-O-[β-Glucopyranosyl-(1-6)-β-glucopyranosyl]karatavicinol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C42H62O20/c1-20(6-5-7-21(2)14-15-55-23-11-9-22-10-13-29(45)57-24(22)16-23)8-12-28(42(3,4)62-41-38(54)34(50)31(47)26(18-44)59-41)61-40-37(53)35(51)32(48)27(60-40)19-56-39-36(52)33(49)30(46)25(17-43)58-39/h6,9-11,13-14,16,25-28,30-41,43-44,46-54H,5,7-8,12,15,17-19H2,1-4H3/b20-6+,21-14+/t25-,26-,27-,28?,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41+/m1/s1

InChIKey: InChIKey=ISTYTNPHELVUES-ZCHRFIAVSA-N

Formula: C42H62O20

Molecular Weight: 886.931333

Exact Mass: 886.383444

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Iranshahi, M., Mojarab, M., Sadeghian, H., Hanafi-Bojd, M.Y., Schneider, B. Phytochemistry (2008) 69, 473-8

Species:

Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Farnesanes; 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) 66.6
2 (CH) 120.4
3 (C) 142.9
4 (CH2) 40.5
5 (CH2) 27.1
6 (CH) 125.1
7 (C) 136.5
8 (CH2) 37.8
9 (CH2) 31
10 (CH) 83.9
11 (C) 82.4
12 (CH3) 16.8
13 (CH3) 16.2
14 (CH3) 22.1
15 (CH3) 23.4
2' (C) 163.5
3' (CH) 113.2
4' (CH) 145.9
5' (CH) 130.4
6' (CH) 114.5
7' (C) 163.8
8' (CH) 102.5
9' (C) 157.1
10' (C) 113.9
1'' (CH) 105.9
2'' (CH) 76
3'' (CH) 77.9
4'' (CH) 71.6
5'' (CH) 78.6
6'' (CH2) 69.9
1''' (CH) 104.8
2''' (CH) 75.1
3''' (CH) 77.7
4''' (CH) 71.2
5''' (CH) 78
6''' (CH2) 62.7
1'''' (CH) 96.4
2'''' (CH) 76.8
3'''' (CH) 76.8
4'''' (CH) 71.2
5'''' (CH) 78
6'''' (CH2) 62.7