Hexaacetate of Afromosin 7-O-[L-α-rhamnopyranosyl-(1-->6)]-β-glucopyranoside

Hexaacetate of Afromosin 7-O-[L-α-rhamnopyranosyl-(1-->6)]-β-glucopyranoside

Common Name: Hexaacetate of Afromosin 7-O-[L-α-rhamnopyranosyl-(1-->6)]-β-glucopyranoside

Synonyms:

CAS Registry Number:

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

InChIKey: InChIKey=ZQCVFTBCAMXJHD-JLVZTXDXSA-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) 152.9
3 (C) 124.3
4 (C) 175.8
5 (CH) 106.6
6 (C) 148.8
7 (C) 151
8 (CH) 107.2
9 (C) 151.5
10 (C) 120.7
1' (C) 124.7
2' (CH) 130.3
3' (CH) 114.2
4' (C) 159.8
5' (CH) 114.2
6' (CH) 130.3
1'' (CH) 100
2'' (CH) 71.2
3'' (CH) 72.6
4'' (CH) 69.3
5'' (CH) 73.9
6'' (CH2) 66.8
1''' (CH) 98.4
2''' (CH) 69.6
3''' (CH) 69.4
4''' (CH) 71.1
5''' (CH) 66.9
6''' (CH3) 17.6
6a (CH3) 56.6
4'a (CH3) 55.6
2''b (C) 170.4
2''c (CH3) 21
3''b (C) 170.1
3''c (CH3) 20.9
4''b (C) 170
4''c (CH3) 20.8
2'''a (C) 169.9
2'''b (CH3) 20.8
3'''a (C) 169.7
3'''b (CH3) 20.9
4'''a (C) 169.5
4'''b (CH3) 21