Hexaacetate of 8-hydroxy-4',7-dimethoxyisoflavone8-O-[α-rhamnopyranosyl-(1-->6)]-β-glucopyranoside

Hexaacetate of 8-hydroxy-4',7-dimethoxyisoflavone8-O-[α-rhamnopyranosyl-(1-->6)]-β-glucopyranoside

Common Name: Hexaacetate of 8-hydroxy-4',7-dimethoxyisoflavone8-O-[α-rhamnopyranosyl-(1-->6)]-β-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C41H46O20/c1-18-32(54-19(2)42)36(56-21(4)44)38(58-23(6)46)40(53-18)52-17-30-35(55-20(3)43)37(57-22(5)45)39(59-24(7)47)41(60-30)61-34-29(50-9)15-14-27-31(48)28(16-51-33(27)34)25-10-12-26(49-8)13-11-25/h10-16,18,30,32,35-41H,17H2,1-9H3/t18-,30-,32-,35-,36+,37+,38+,39-,40+,41+/m1/s1

InChIKey: InChIKey=VOEOBFMHLCESAT-DINGQLTESA-N

Formula: C41H46O20

Molecular Weight: 858.793545

Exact Mass: 858.258244

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Rukachaisirikul, V., Sukpondma, Y., Jansakul, C., Taylor, W.C. Phytochemistry (2002) 60, 827-34

Species:

Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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
2 (CH) 152.7
3 (C) 124.7
4 (C) 176
5 (CH) 123.4
6 (CH) 110.3
7 (C) 156.1
8 (C) 132.4
9 (C) 150.8
10 (C) 119.4
1' (C) 124.2
2' (CH) 130.5
3' (CH) 114.2
4' (C) 159.9
5' (CH) 114.2
6' (CH) 130.5
1'' (CH) 101.2
2'' (CH) 72.1
3'' (CH) 72.9
4'' (CH) 69.2
5'' (CH) 74.4
6'' (CH2) 66.5
1''' (CH) 97.9
2''' (CH) 69.6
3''' (CH) 69.3
4''' (CH) 70.9
5''' (CH) 66.9
6''' (CH3) 17.5
7a (CH3) 55.6
4'a (CH3) 56.8
2''a (C) 170.5
2''b (CH3) 21
3''a (C) 170.3
3''b (CH3) 20.9
4''a (C) 170.2
4''b (CH3) 20.9
2'''a (C) 170.1
2'''b (CH3) 20.8
3'''a (C) 169.9
3'''b (CH3) 20.9
4'''a (C) 169.6
4'''b (CH3) 20.9