(+)-S-Myricanol 5-O-b-D-Glucopyranoside

(+)-S-Myricanol 5-O-b-D-Glucopyranoside

Common Name: (+)-S-Myricanol 5-O-b-D-Glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H36O10/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/h8,10-12,16,20-23,27-33H,3-7,9,13H2,1-2H3/t16-,20-,21-,22+,23-,27+/m1/s1

InChIKey: InChIKey=NPSYWDNXSMBWKP-LMNFFIPXSA-N

Formula: C27H36O10

Molecular Weight: 520.569786

Exact Mass: 520.230847

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Matsuda, H., Morikawa, T., Tao, J., Ueda, K., Yoshikawa, M. Chem Pharm Bull (2002) 50, 208-15

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) 126.4
2 (C) 129.6
3 (C) 149
4 (C) 146.3
5 (C) 149.6
6 (C) 130.5
7 (CH2) 27.1
8 (CH2) 26.6
9 (CH2) 23.4
10 (CH2) 40.5
11 (CH) 67.7
12 (CH2) 35.7
13 (CH2) 27.8
14 (C) 131
15 (CH) 130.5
16 (CH) 117.1
17 (C) 153.1
18 (CH) 135.2
19 (CH) 130.2
1' (CH) 105.7
2' (CH) 75.7
3' (CH) 78.3
4' (CH) 71.5
5' (CH) 78.4
6' (CH2) 62.5
3a (CH3) 61.2
4a (CH3) 61.7