Neomyricanone 5-O-b-D-glucopyranoside

Neomyricanone 5-O-b-D-glucopyranoside

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H34O10/c1-34-25-18-12-15(8-9-16(29)6-4-3-5-14-7-10-19(30)17(18)11-14)24(26(25)35-2)37-27-23(33)22(32)21(31)20(13-28)36-27/h7,10-12,20-23,27-28,30-33H,3-6,8-9,13H2,1-2H3/t20-,21-,22+,23-,27+/m1/s1

InChIKey: InChIKey=SMYOKOPOWMBDGH-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) 126.5
2 (C) 129.2
3 (C) 149.1
4 (C) 146.4
5 (C) 149.2
6 (C) 131.1
7 (CH2) 22.8
8 (CH2) 41.1
9 (C) 212.4
10 (CH2) 44.3
11 (CH2) 22.3
12 (CH2) 26.1
13 (CH2) 31.8
14 (C) 131.3
15 (CH) 130.2
16 (CH) 117.2
17 (C) 153.3
18 (CH) 134.4
19 (CH) 129.5
1' (CH) 105.8
2' (CH) 75.8
3' (CH) 78.5
4' (CH) 71.7
5' (CH) 78.5
6' (CH2) 62.8
3a (CH3) 61.2
4a (CH3) 61.6