Spektraris NMR
7R,7'R,8S,8'S-(+)-Neo-olivil 4-O-β-D-Glucopyranoside
Common Name: 7R,7'R,8S,8'S-(+)-Neo-olivil 4-O-β-D-Glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O12/c1-34-18-7-12(3-5-16(18)30)24-14(9-27)15(10-28)25(38-24)13-4-6-17(19(8-13)35-2)36-26-23(33)22(32)21(31)20(11-29)37-26/h3-8,14-15,20-33H,9-11H2,1-2H3/t14-,15-,20-,21-,22+,23-,24+,25+,26-/m1/s1
InChIKey: InChIKey=DJRNHAFROSMVLC-JKUDBEEXSA-N
Formula: C26H34O12
Molecular Weight: 538.541978
Exact Mass: 538.205027
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kikuchi, M. Chem Pharm Bull (2005) 53, 48-51
Species:
Notes: Family : Lignans, Type : Lignans, Group : 7-7-Monoepoxylignans; 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) | 138.8 |
| 2 (CH) | 111.9 |
| 3 (C) | 151 |
| 4 (C) | 147.6 |
| 5 (CH) | 118 |
| 6 (CH) | 120.6 |
| 7 (CH) | 84.1 |
| 8 (CH) | 55.3 |
| 9 (CH2) | 61.9 |
| 1' (C) | 134.9 |
| 2' (CH) | 111.3 |
| 3' (C) | 149.2 |
| 4' (C) | 147.5 |
| 5' (CH) | 116.1 |
| 6' (CH) | 120.3 |
| 7' (CH) | 84.6 |
| 8' (CH) | 55.5 |
| 9' (CH2) | 61.8 |
| 1'' (CH) | 103 |
| 2'' (CH) | 74.5 |
| 3'' (CH) | 77.9 |
| 4'' (CH) | 71.4 |
| 5'' (CH) | 78.3 |
| 6'' (CH2) | 62.6 |
| 3a (CH3) | 56.5 |
| 3'a (CH3) | 56.8 |
