Spektraris NMR
Multifidoside C
Common Name: Multifidoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O9/c1-15-12-19-13-16(2)25(33)24(19)17(3)21(15)10-11-36-29-27(35)26(34)28(22(14-30)37-29)38-23(32)9-6-18-4-7-20(31)8-5-18/h4-9,12,16,22,26-31,34-35H,10-11,13-14H2,1-3H3/b9-6+/t16-,22-,26-,27-,28-,29-/m1/s1
InChIKey: InChIKey=DGOOMWFMTZLGGS-PBRNXLBUSA-N
Formula: C29H34O9
Molecular Weight: 526.575971
Exact Mass: 526.220283
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ge, X., Ye, G., Li, P., Tang, W.J., Gao, J.L., Zhao, W.M. J Nat Prod (2008) 71, 227-31
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Illudanes; 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) | 209.5 |
| 2 (C) | 132.3 |
| 3 (C) | 137.5 |
| 4 (CH2) | 29.5 |
| 5 (CH2) | 68.3 |
| 6 (C) | 135.5 |
| 7 (C) | 144.4 |
| 8 (CH) | 126 |
| 9 (C) | 152.6 |
| 10 (CH2) | 33.7 |
| 11 (CH) | 42.6 |
| 12 (CH3) | 16.6 |
| 14 (CH3) | 21 |
| 15 (CH3) | 13.5 |
| 1' (CH) | 104.6 |
| 2' (CH) | 75.3 |
| 3' (CH) | 76.5 |
| 4' (CH) | 72.6 |
| 5' (CH) | 76 |
| 6' (CH2) | 62.3 |
| 1'' (C) | 167.2 |
| 2'' (CH) | 114.9 |
| 3'' (CH) | 145.7 |
| 4'' (C) | 125.9 |
| 5'' (CH) | 130.7 |
| 6'' (CH) | 116.7 |
| 7'' (C) | 161.5 |
| 8'' (CH) | 116.7 |
| 9'' (CH) | 130.7 |
