(3R,5S)-1-(4-Hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptane-3,5-diol

(3R,5S)-1-(4-Hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptane-3,5-diol

Common Name: (3R,5S)-1-(4-Hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptane-3,5-diol

Synonyms: (3R,5S)-1-(4-Hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptane-3,5-diol

CAS Registry Number:

InChI: InChI=1S/C20H26O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)12-15(21)6-2-13-4-8-17(23)19(25)10-13/h4-5,8-11,15-16,21-25H,2-3,6-7,12H2,1H3/t15-,16+/m0/s1

InChIKey: InChIKey=RIDWNCYOYKOUAC-JKSUJKDBSA-N

Formula: C20H26O6

Molecular Weight: 362.417607

Exact Mass: 362.172939

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Akiyama, K., Kikuzaki, H., Aoki, T., Okuda, A., Lajis, N.H., Nakatani, N. J Nat Prod (2006) 69, 1637-40

Species:

Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Diphenylheptanoids; 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) 135
2 (CH) 116.2
3 (C) 145.7
4 (C) 143.7
5 (CH) 115.5
6 (CH) 120.3
7 (CH2) 32
8 (CH2) 41.1
9 (CH) 71.7
10 (CH2) 44.3
11 (CH) 71.1
12 (CH2) 41.1
13 (CH2) 31.7
1' (C) 134.7
2' (CH) 112.7
3' (C) 148.1
4' (C) 145.3
5' (CH) 115.9
6' (CH) 121.4
3a (CH3) 56.1