Heptaacetate of 7,8-dihydroxy-4'-methoxyisoflavone7-O-[α-rhamnopyranosyl-(1-->6)]-β-glucopyranoside

Heptaacetate of 7,8-dihydroxy-4'-methoxyisoflavone7-O-[α-rhamnopyranosyl-(1-->6)]-β-glucopyranoside

Common Name: Heptaacetate of 7,8-dihydroxy-4'-methoxyisoflavone7-O-[α-rhamnopyranosyl-(1-->6)]-β-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C40H44O20/c1-17-32(53-18(2)41)35(55-20(4)43)37(57-22(6)45)39(52-17)51-16-29-34(54-19(3)42)36(56-21(5)44)38(58-23(7)46)40(60-29)59-28-14-13-26-30(47)27(15-50-33(26)31(28)48)24-9-11-25(49-8)12-10-24/h9-15,17,29,32,34-40,48H,16H2,1-8H3/t17-,29-,32-,34-,35+,36+,37+,38-,39+,40-/m1/s1

InChIKey: InChIKey=BOMFGHKMRPCBCS-LGFZTBOASA-N

Formula: C40H44O20

Molecular Weight: 844.766928

Exact Mass: 844.242594

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) 152.2
3 (C) 125.1
4 (C) 175.3
5 (CH) 123.9
6 (CH) 112
7 (C) 151.9
8 (C) 152
9 (C) 149.6
10 (C) 120.1
1' (C) 125
2' (CH) 130.1
3' (CH) 114
4' (C) 159.7
5' (CH) 114
6' (CH) 130.1
1'' (CH) 98
2'' (CH) 70.5
3'' (CH) 72.3
4'' (CH) 68.7
5'' (CH) 73.8
6'' (CH2) 66.4
1''' (CH) 97
2''' (CH) 69.4
3''' (CH) 68.8
4''' (CH) 70.8
5''' (CH) 66.8
6''' (CH3) 17.3
4'a (CH3) 55.3
2''b (C) 170.1
2''c (CH3) 20.8
3''b (C) 170
3''c (CH3) 20.7
4''b (C) 169.99
4''c (CH3) 20.5
2'''a (C) 169.9
2'''b (CH3) 20.2
3'''a (C) 169.5
3'''b (CH3) 20.6
4'''a (C) 169.4
4'''b (CH3) 20.6