Spektraris NMR
(7R,8R )-9'-(b-Rhamnopyranosyl)-3-methoxy-3':7,4 ':8-diepoxyneolignan-4,9-diol pentaacetate
Common Name: (7R,8R )-9'-(b-Rhamnopyranosyl)-3-methoxy-3':7,4 ':8-diepoxyneolignan-4,9-diol pentaacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H42O15/c1-18-31(46-21(4)38)33(47-22(5)39)34(48-23(6)40)35(44-18)42-14-8-9-24-10-12-27-29(15-24)50-32(30(49-27)17-43-19(2)36)25-11-13-26(45-20(3)37)28(16-25)41-7/h10-13,15-16,18,30-35H,8-9,14,17H2,1-7H3/t18-,30-,31-,32-,33+,34-,35-/m1/s1
InChIKey: InChIKey=OWQIQEWYEONBSJ-BAFCKOCMSA-N
Formula: C35H42O15
Molecular Weight: 702.700342
Exact Mass: 702.252371
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lin, T.C., Fang, J.M., Cheng, Y.S. Phytochemistry (1999) 51, 793-801
Species:
Notes: Family : Lignans, Type : Neolignans; 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) | 134.7 |
| 2 (CH) | 110.9 |
| 3 (C) | 151.4 |
| 4 (C) | 140.2 |
| 5 (CH) | 119.7 |
| 6 (CH) | 122.9 |
| 7 (CH) | 76.2 |
| 8 (CH) | 75.2 |
| 9 (CH2) | 62.7 |
| 1' (C) | 134.9 |
| 2' (CH) | 116.7 |
| 3' (C) | 142.9 |
| 4' (C) | 140.9 |
| 5' (CH) | 116.8 |
| 6' (CH) | 121.7 |
| 7' (CH2) | 31.3 |
| 8' (CH2) | 30.7 |
| 9' (CH2) | 67.1 |
| 1'' (CH) | 97.3 |
| 2'' (CH) | 69.8 |
| 3'' (CH) | 69 |
| 4'' (CH) | 70.9 |
| 5'' (CH) | 66.1 |
| 6'' (CH3) | 17.2 |
| 3a (CH3) | 55.8 |
| 4a (C) | 168.6 |
| 4b (CH3) | 20.4 |
| 9a (C) | 169.9 |
| 9b (CH3) | 20.5 |
| 2''a (C) | 169.9 |
| 2''b (CH3) | 20.6 |
| 3''a (C) | 170 |
| 3''b (CH3) | 20.6 |
| 4''a (C) | 170.3 |
| 4''b (CH3) | 20.6 |
