Spektraris NMR
Rhusemialins B
Common Name: Rhusemialins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H46O16/c1-47-24-10-18(6-8-23(24)41)7-9-29(42)52-17-28-33(44)34(45)35(46)38(53-28)54-36-27(50-4)14-19-11-21(15-39)22(16-40)30(31(19)37(36)51-5)20-12-25(48-2)32(43)26(13-20)49-3/h6-10,12-14,21-22,28,30,33-35,38-41,43-46H,11,15-17H2,1-5H3/b9-7+/t21-,22-,28+,30+,33+,34-,35+,38-/m0/s1
InChIKey: InChIKey=VTSGFOLYVXXSBE-YTGMFXLRSA-N
Formula: C38H46O16
Molecular Weight: 758.763718
Exact Mass: 758.278585
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ouyang, M.A., Wein, Y.S., Su, R.K., Kuo, Y.H. Chem Pharm Bull (2007) 55, 804-7
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) | 135.7 |
| 2 (C) | 126.8 |
| 3 (C) | 152.2 |
| 4 (C) | 138.1 |
| 5 (C) | 152.1 |
| 6 (CH) | 108.9 |
| 7 (CH2) | 34.3 |
| 8 (CH) | 40.7 |
| 9 (CH2) | 66.3 |
| 1' (C) | 134.2 |
| 2' (CH) | 107.4 |
| 3' (C) | 148.2 |
| 4' (C) | 138.8 |
| 5' (C) | 148.2 |
| 6' (CH) | 107.4 |
| 7' (CH) | 42.5 |
| 8' (CH) | 48.9 |
| 9' (CH2) | 63.5 |
| 1'' (CH) | 104.7 |
| 2'' (CH) | 73.9 |
| 3'' (CH) | 77.4 |
| 4'' (CH) | 71.2 |
| 5'' (CH) | 76.3 |
| 6'' (CH2) | 63.9 |
| 1''' (C) | 127.2 |
| 2''' (CH) | 111.3 |
| 3''' (C) | 148.5 |
| 4''' (C) | 149.9 |
| 5''' (CH) | 115.7 |
| 6''' (CH) | 124.2 |
| 7''' (CH) | 146.5 |
| 8''' (CH) | 115.2 |
| 9''' (C) | 166.9 |
| 3a (CH3) | 60.9 |
| 5a (CH3) | 56.6 |
| 3'a (CH3) | 56.9 |
| 5'a (CH3) | 56.9 |
| 3'''a (CH3) | 56.5 |
