Spektraris NMR
Multifidoside B
Common Name: Multifidoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O10/c1-14-12-20-23(15(2)19(14)10-11-30)24(34)16(3)27(20)39-29-26(36)25(35)28(21(13-31)37-29)38-22(33)9-6-17-4-7-18(32)8-5-17/h4-9,12,16,21,25-32,35-36H,10-11,13H2,1-3H3/b9-6+/t16-,21+,25+,26+,27-,28+,29-/m0/s1
InChIKey: InChIKey=XHAHKCFIMDRADG-KDMLICHCSA-N
Formula: C29H34O10
Molecular Weight: 542.575376
Exact Mass: 542.215197
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) | 207.4 |
| 2 (C) | 131.7 |
| 3 (C) | 137.1 |
| 4 (CH2) | 33.1 |
| 5 (CH2) | 60.8 |
| 6 (C) | 138.9 |
| 7 (C) | 144.4 |
| 8 (CH) | 126.7 |
| 9 (C) | 151.2 |
| 10 (CH) | 76.3 |
| 11 (CH) | 49.1 |
| 12 (CH3) | 11.9 |
| 14 (CH3) | 21.2 |
| 15 (CH3) | 13.9 |
| 1' (CH) | 104.2 |
| 2' (CH) | 75.3 |
| 3' (CH) | 76.7 |
| 4' (CH) | 72.7 |
| 5' (CH) | 75.8 |
| 6' (CH2) | 62.4 |
| 1'' (C) | 167.2 |
| 2'' (CH) | 115 |
| 3'' (CH) | 145.7 |
| 4'' (C) | 126.1 |
| 5'' (CH) | 130.7 |
| 6'' (CH) | 116.7 |
| 7'' (C) | 161.4 |
| 8'' (CH) | 116.7 |
| 9'' (CH) | 130.7 |
