(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-β-D-glucopyranosyl-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-β-D-glucopyranosyl-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-β-D-glucopyranosyl-β-D-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C33H46O15/c1-43-30-19-12-16(5-3-4-6-17(35)9-7-15-8-10-20(36)18(19)11-15)29(31(30)44-2)48-33-28(42)26(40)24(38)22(47-33)14-45-32-27(41)25(39)23(37)21(13-34)46-32/h8,10-12,17,21-28,32-42H,3-7,9,13-14H2,1-2H3/t17-,21+,22+,23+,24+,25-,26-,27+,28+,32+,33-/m0/s1

InChIKey: InChIKey=MWHPGFTUVBRCFT-RXJPCBHTSA-N

Formula: C33H46O15

Molecular Weight: 682.710633

Exact Mass: 682.283671

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) 126.74
2 (C) 128.98
3 (C) 149.2
4 (C) 145.91
5 (C) 149.57
6 (C) 130.16
7 (CH2) 27.26
8 (CH2) 26.53
9 (CH2) 23.56
10 (CH2) 40.51
11 (CH) 67.94
12 (CH2) 35.85
13 (CH2) 28
14 (C) 131.05
15 (CH) 130.28
16 (CH) 116.99
17 (C) 150.17
18 (CH) 135.36
19 (CH) 130.22
1' (CH) 105.8
2' (CH) 75.12
3' (CH) 78.37
4' (CH) 71.51
5' (CH) 77.37
6' (CH2) 70.23
1'' (CH) 105.3
2'' (CH) 75.71
3'' (CH) 78.37
4'' (CH) 71.6
5'' (CH) 78.37
6'' (CH2) 62.72
3a (CH3) 61.04
4a (CH3) 61.66