Spektraris NMR
7-O-Glucosylated epiphyllic acid
Common Name: 7-O-Glucosylated epiphyllic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H48O26/c49-15-29(57)42-43(74-35(58)6-2-17-1-4-23(51)25(53)7-17)32(14-33(69-42)45(65)66)71-47(68)37-22(46(67)70-31-12-20(44(63)64)11-28(56)38(31)59)8-19-10-27(55)30(72-48-41(62)40(61)39(60)34(16-50)73-48)13-21(19)36(37)18-3-5-24(52)26(54)9-18/h1-11,13-14,28-29,31-32,34,36-43,48-57,59-62H,12,15-16H2,(H,63,64)(H,65,66)/b6-2+/t28-,29?,31-,32-,34-,36-,37-,38-,39-,40+,41-,42-,43-,48-/m1/s1
InChIKey: InChIKey=QDDFBIHRUMGECD-NPZZYFRTSA-N
Formula: C48H48O26
Molecular Weight: 1040.881007
Exact Mass: 1040.243382
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ma, B., Guo, H.F., Lou, H.X. Helv Chim Acta (2007) 90, 58-62
Species:
Notes: Family : Lignans, Type : Lignans, Group : Cyclolignans; 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) | 127.9 |
| 2 (C) | 130.8 |
| 3 (CH) | 119.3 |
| 4 (C) | 148.7 |
| 5 (C) | 147.4 |
| 6 (CH) | 117.7 |
| 7 (CH) | 139.8 |
| 8 (C) | 124.3 |
| 9 (C) | 167.5 |
| 1' (C) | 135.8 |
| 2' (CH) | 115.6 |
| 3' (C) | 146 |
| 4' (C) | 145 |
| 5' (CH) | 116.4 |
| 6' (CH) | 120 |
| 7' (CH) | 46.2 |
| 8' (CH) | 49.6 |
| 9' (C) | 172.9 |
| 1'' (CH) | 103.9 |
| 2'' (CH) | 74.8 |
| 3'' (CH) | 77.5 |
| 4'' (CH) | 70.2 |
| 5'' (CH) | 77.9 |
| 6'' (CH2) | 62.2 |
| 1''' (CH) | 72.1 |
| 2''' (CH2) | 28.9 |
| 3''' (C) | 130.5 |
| 4''' (CH) | 138.7 |
| 5''' (CH) | 67.3 |
| 6''' (CH) | 69.6 |
| 1'''' (C) | 165.8 |
| 2'''' (C) | 147.7 |
| 3'''' (CH) | 107.5 |
| 4'''' (CH) | 68.3 |
| 5'''' (CH) | 63.3 |
| 6'''' (CH) | 77.4 |
| 7'''' (CH) | 71.1 |
| 8'''' (CH2) | 63.9 |
| 1''''' (C) | 168.5 |
| 2''''' (CH) | 114.9 |
| 3''''' (CH) | 148.3 |
| 4''''' (C) | 127.8 |
| 5''''' (CH) | 115.5 |
| 6''''' (C) | 149.7 |
| 7''''' (C) | 146.7 |
| 8''''' (CH) | 117.7 |
| 9''''' (CH) | 123.5 |
| 3'''a (C) | 169.5 |
