(11S)-11,17-Dihydroxy-3,4-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaen-5-yl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

(11S)-11,17-Dihydroxy-3,4-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaen-5-yl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

Common Name: (11S)-11,17-Dihydroxy-3,4-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaen-5-yl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C34H40O14/c1-44-31-21-12-17(5-3-4-6-19(35)9-7-16-8-10-22(36)20(21)11-16)30(32(31)45-2)48-34-29(42)28(41)27(40)25(47-34)15-46-33(43)18-13-23(37)26(39)24(38)14-18/h8,10-14,19,25,27-29,34-42H,3-7,9,15H2,1-2H3/t19-,25+,27+,28-,29+,34-/m0/s1

InChIKey: InChIKey=PXTKHOHAJHGCKB-DXXHMWGISA-N

Formula: C34H40O14

Molecular Weight: 672.67432

Exact Mass: 672.241806

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Yaguchi, Y., Sakurai, N., Nagai, M., Inoue, T. Chem Pharm Bull (1988) 36, 1419-24

Species:

Notes: Family : Aromatics, Type : Biphenyl-cyclophanes, Group : Diarylheptanoids; 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 (C) 126.55
2 (C) 128.98
3 (C) 148.91
4 (C) 145.89
5 (C) 149.66
6 (C) 130.42
7 (CH2) 27.11
8 (CH2) 26.32
9 (CH2) 23.4
10 (CH2) 40.45
11 (CH) 67.99
12 (CH2) 35.72
13 (CH2) 27.99
14 (C) 131.04
15 (CH) 130.31
16 (CH) 116.96
17 (C) 153.05
18 (CH) 135.08
19 (CH) 130.16
1' (CH) 105.78
2' (CH) 75.65
3' (CH) 78.2
4' (CH) 71.08
5' (CH) 75.73
6' (CH2) 63.9
1'' (C) 167.14
2'' (C) 121.22
3'' (CH) 110.23
4'' (C) 147.42
5'' (C) 140.79
6'' (C) 147.42
7'' (CH) 110.23
3a (CH3) 61.1
4a (CH3) 61.57