2-Methoxy-4-[(1S,2R)-1,3-dihydroxy-2-[2-methoxy-4-(3-hydroxypropyl)phenoxy]propyl]phenol

2-Methoxy-4-[(1S,2R)-1,3-dihydroxy-2-[2-methoxy-4-(3-hydroxypropyl)phenoxy]propyl]phenol

Common Name: 2-Methoxy-4-[(1S,2R)-1,3-dihydroxy-2-[2-methoxy-4-(3-hydroxypropyl)phenoxy]propyl]phenol

Synonyms: 2-Methoxy-4-[(1S,2R)-1,3-dihydroxy-2-[2-methoxy-4-(3-hydroxypropyl)phenoxy]propyl]phenol

CAS Registry Number:

InChI: InChI=1S/C20H26O7/c1-25-17-11-14(6-7-15(17)23)20(24)19(12-22)27-16-8-5-13(4-3-9-21)10-18(16)26-2/h5-8,10-11,19-24H,3-4,9,12H2,1-2H3/t19-,20+/m1/s1

InChIKey: InChIKey=DBIKJXXBCAHHMC-UXHICEINSA-N

Formula: C20H26O7

Molecular Weight: 378.417012

Exact Mass: 378.167853

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Huo, C.H., Liang, H., Zhao, Y.Y., Wang, B., Zhang, Q.Y. Phytochemistry (2008) 69, 788-95

Species:

Notes: Family : Lignans, Type : Neolignans, Group : Oxyneolignans; 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) 131.92
2 (CH) 112.53
3 (C) 145.24
4 (C) 146.76
5 (CH) 108.74
6 (CH) 121.26
7 (CH) 72.86
8 (CH) 87.82
9 (CH2) 60.9
1' (C) 138.42
2' (CH) 114.39
3' (C) 151.61
4' (C) 145.1
5' (CH) 119.16
6' (CH) 121.45
7' (CH2) 32.03
8' (CH2) 34.39
9' (CH2) 62.34
3a (CH3) 56.15
3'a (CH3) 56.05