Spektraris NMR
Mananthoside D
Common Name: Mananthoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H48O23/c1-15(44)60-36-27(13-57-40-33(50)30(47)21(46)12-56-40)63-42(38(61-16(2)45)37(36)65-41-34(51)32(49)31(48)26(10-43)62-41)64-35-19-9-24(54-4)23(53-3)8-18(19)28(29-20(35)11-55-39(29)52)17-5-6-22-25(7-17)59-14-58-22/h5-9,21,26-27,30-34,36-38,40-43,46-51H,10-14H2,1-4H3/t21-,26+,27+,30-,31+,32-,33+,34+,36-,37-,38+,40+,41-,42+/m0/s1
InChIKey: InChIKey=IXDUIORZFIIZKI-XLEGYUKWSA-N
Formula: C42H48O23
Molecular Weight: 920.818377
Exact Mass: 920.258638
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) | 131.6 |
| 2 (C) | 127.1 |
| 3 (CH) | 107 |
| 4 (C) | 151.8 |
| 5 (C) | 153.4 |
| 6 (CH) | 101.9 |
| 7 (C) | 145.9 |
| 8 (C) | 127.1 |
| 9 (CH2) | 69.2 |
| 1' (C) | 130 |
| 2' (CH) | 111.8 |
| 3' (C) | 148.9 |
| 4' (C) | 148.9 |
| 5' (CH) | 109 |
| 6' (CH) | 124.8 |
| 7' (C) | 136.6 |
| 8' (C) | 120.5 |
| 9' (C) | 172.1 |
| 1'' (CH) | 101.8 |
| 2'' (CH) | 72.3 |
| 3'' (CH) | 79.1 |
| 4'' (CH) | 72.3 |
| 5'' (CH) | 75.3 |
| 6'' (CH2) | 69.2 |
| 1''' (CH) | 106.2 |
| 2''' (CH) | 74.8 |
| 3''' (CH) | 78.1 |
| 4''' (CH) | 71.4 |
| 5''' (CH) | 78 |
| 6''' (CH2) | 63 |
| 1'''' (CH) | 105.1 |
| 2'''' (CH) | 72.4 |
| 3'''' (CH) | 74.3 |
| 4'''' (CH) | 69.5 |
| 5'''' (CH2) | 66.8 |
| 4a (CH3) | 56.8 |
| 5a (CH3) | 56 |
| 3'a (CH2) | 102.6 |
| 2''a (C) | 172.1 |
| 2''b (CH3) | 21.4 |
| 4''a (C) | 172.6 |
| 4''b (CH3) | 20.9 |
