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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C41H46O21/c1-17-33(55-18(2)42)36(57-20(4)44)38(59-22(6)46)40(54-17)53-16-29-35(56-19(3)43)37(58-21(5)45)39(60-23(7)47)41(62-29)61-28-14-27-30(32(49)34(28)51-9)31(48)26(15-52-27)24-10-12-25(50-8)13-11-24/h10-15,17,29,33,35-41,49H,16H2,1-9H3/t17-,29-,33-,35-,36+,37+,38+,39-,40+,41-/m1/s1

InChIKey: InChIKey=IAUKSNCTJXMFRW-PMOXPZNOSA-N

Formula: C41H46O21

Molecular Weight: 874.79295

Exact Mass: 874.253159

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) 153.7
3 (C) 122.9
4 (C) 181.4
5 (C) 154.3
6 (C) 133.7
7 (C) 155.7
8 (CH) 95.4
9 (C) 152.7
10 (C) 108.4
1' (C) 123
2' (CH) 130.1
3' (CH) 114.2
4' (C) 159.8
5' (CH) 114.2
6' (CH) 130.1
1'' (CH) 99.5
2'' (CH) 70.7
3'' (CH) 72.4
4'' (CH) 68.9
5'' (CH) 73.7
6'' (CH2) 66.5
1''' (CH) 98.3
2''' (CH) 69.2
3''' (CH) 69.2
4''' (CH) 70.7
5''' (CH) 66.7
6''' (CH3) 17.3
6a (CH3) 61.1
4'a (CH3) 55.4
2''b (C) 169.5
2''c (CH3) 20.6
3''b (C) 169.8
3''c (CH3) 20.6
4''b (C) 169.9
4''c (CH3) 20.6
2'''a (C) 170.2
2'''b (CH3) 20.8
3'''a (C) 169.3
3'''b (CH3) 20.8
4'''a (C) 169.9
4'''b (CH3) 20.8