Spektraris NMR
Mananthoside E
Common Name: Mananthoside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H46O22/c1-14(42)58-35-25(12-55-38-31(47)28(44)19(43)11-54-38)60-40(33(49)36(35)62-39-32(48)30(46)29(45)24(9-41)59-39)61-34-17-8-22(52-3)21(51-2)7-16(17)26(27-18(34)10-53-37(27)50)15-4-5-20-23(6-15)57-13-56-20/h4-8,19,24-25,28-33,35-36,38-41,43-49H,9-13H2,1-3H3/t19-,24+,25+,28-,29+,30-,31+,32+,33+,35-,36+,38+,39-,40+/m0/s1
InChIKey: InChIKey=GSFVDWREPGMOIS-SVPWGFFMSA-N
Formula: C40H46O22
Molecular Weight: 878.781619
Exact Mass: 878.248073
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Tian, J.M., Hao, X.J., He, H.P. Helv Chim Acta (2006) 89, 291-8
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) | 131.8 |
| 2 (C) | 128.9 |
| 3 (CH) | 107 |
| 4 (C) | 151.7 |
| 5 (C) | 153.3 |
| 6 (CH) | 102.9 |
| 7 (C) | 146.2 |
| 8 (C) | 132.3 |
| 9 (CH2) | 69.5 |
| 1' (C) | 130 |
| 2' (CH) | 112 |
| 3' (C) | 148.9 |
| 4' (C) | 148.9 |
| 5' (CH) | 109 |
| 6' (CH) | 124.9 |
| 7' (C) | 137.6 |
| 8' (C) | 120.2 |
| 9' (C) | 172.4 |
| 1'' (CH) | 106.5 |
| 2'' (CH) | 72 |
| 3'' (CH) | 82.4 |
| 4'' (CH) | 72.3 |
| 5'' (CH) | 74.6 |
| 6'' (CH2) | 69.5 |
| 1''' (CH) | 105.8 |
| 2''' (CH) | 75.5 |
| 3''' (CH) | 77.8 |
| 4''' (CH) | 71.5 |
| 5''' (CH) | 78.1 |
| 6''' (CH2) | 62.9 |
| 1'''' (CH) | 104.9 |
| 2'''' (CH) | 72.1 |
| 3'''' (CH) | 74.1 |
| 4'''' (CH) | 69.3 |
| 5'''' (CH2) | 66.5 |
| 4a (CH3) | 56.7 |
| 5a (CH3) | 56 |
| 3'a (CH2) | 102.6 |
| 4''a (C) | 173 |
| 4''b (CH3) | 21 |
