Spektraris NMR
(1S,2R)-1-(3-Methoxy-4-hydroxyphenyl)-2-[2,6-dimethoxy-4-(3-hydroxypropyl)phenoxy]-1,3-propanediol
![(1S,2R)-1-(3-Methoxy-4-hydroxyphenyl)-2-[2,6-dimethoxy-4-(3-hydroxypropyl)phenoxy]-1,3-propanediol](/nmr/static/nmr/svg/18377.svg)
Common Name: (1S,2R)-1-(3-Methoxy-4-hydroxyphenyl)-2-[2,6-dimethoxy-4-(3-hydroxypropyl)phenoxy]-1,3-propanediol
Synonyms: (1S,2R)-1-(3-Methoxy-4-hydroxyphenyl)-2-[2,6-dimethoxy-4-(3-hydroxypropyl)phenoxy]-1,3-propanediol
CAS Registry Number:
InChI: InChI=1S/C21H28O8/c1-26-16-11-14(6-7-15(16)24)20(25)19(12-23)29-21-17(27-2)9-13(5-4-8-22)10-18(21)28-3/h6-7,9-11,19-20,22-25H,4-5,8,12H2,1-3H3/t19-,20+/m1/s1
InChIKey: InChIKey=PDPGPZQOSGGKIP-UXHICEINSA-N
Formula: C21H28O8
Molecular Weight: 408.443034
Exact Mass: 408.178418
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Jutiviboonsuk, A., Zhang, H., Tan, G.T., Ma, C., Van Hung, N., Manh Cuong, N., Bunyapraphatsara, N., Soejarto, D.D., Fong, H.H. Phytochemistry (2005) 66, 2745-51
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) | 133.7 |
| 2 (CH) | 111.4 |
| 3 (C) | 148.7 |
| 4 (C) | 146.8 |
| 5 (CH) | 115.7 |
| 6 (CH) | 120.6 |
| 7 (CH) | 74 |
| 8 (CH) | 87.5 |
| 9 (CH2) | 61.5 |
| 1' (C) | 139.9 |
| 2' (CH) | 106.9 |
| 3' (C) | 154.5 |
| 4' (C) | 134.7 |
| 5' (C) | 154.4 |
| 6' (CH) | 106.9 |
| 7' (CH2) | 33.4 |
| 8' (CH2) | 35.4 |
| 9' (CH2) | 62.1 |
| 3a (CH3) | 56.3 |
| 3'a (CH3) | 56.3 |
| 5'a (CH3) | 56.6 |
