Myricanone 5-O-b-D-glucopyranoside

Myricanone 5-O-b-D-glucopyranoside

Common Name: Myricanone 5-O-b-D-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H34O10/c1-34-25-18-12-15(5-3-4-6-16(29)9-7-14-8-10-19(30)17(18)11-14)24(26(25)35-2)37-27-23(33)22(32)21(31)20(13-28)36-27/h8,10-12,20-23,27-28,30-33H,3-7,9,13H2,1-2H3/t20-,21-,22+,23-,27+/m1/s1

InChIKey: InChIKey=PCXYTBHKFHKTPK-YWZYQIPGSA-N

Formula: C27H34O10

Molecular Weight: 518.553904

Exact Mass: 518.215197

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Tao, J., Morikawa, T., Toguchida, I., Ando, S., Matsuda, H., Yoshikawa, M. Bioorg Med Chem (2002) 10, 4005-12

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) 127
2 (C) 128.8
3 (C) 149.3
4 (C) 146.2
5 (C) 149.6
6 (C) 130.6
7 (CH2) 28.3
8 (CH2) 22.2
9 (CH2) 25
10 (CH2) 46
11 (C) 213
12 (CH2) 42.5
13 (CH2) 29.1
14 (C) 132.1
15 (CH) 129.3
16 (CH) 117
17 (C) 153.6
18 (CH) 134
19 (CH) 129.6
1' (CH) 105.6
2' (CH) 75.8
3' (CH) 78.4
4' (CH) 71.4
5' (CH) 78.5
6' (CH2) 62.5
3a (CH3) 61
4a (CH3) 61.5