Spektraris NMR
Yinxiancaoside B
Common Name: Yinxiancaoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H44O14/c1-11(36-21-19(32)17(30)15(28)13(9-26)38-21)5-6-25(35)23(2,3)7-12(8-24(25,4)34)37-22-20(33)18(31)16(29)14(10-27)39-22/h5-6,11-22,26-35H,7-10H2,1-4H3/b6-5+/t11-,12+,13+,14-,15+,16-,17-,18+,19+,20-,21+,22-,24-,25-/m1/s1
InChIKey: InChIKey=DJVSQDLMGLASCT-BJPAKPRYSA-N
Formula: C25H44O14
Molecular Weight: 568.60946
Exact Mass: 568.273106
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kuang, H., Xia, Y., Yang, B., Wang, Q., Lu, S. Chem Biodivers (2008) 5, 1736-42
Species:
Notes: Family : Terpenoids, Type : Miscellanea, Group : Megastigmanes; 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) | 40.7 |
| 2 (CH2) | 44.4 |
| 3 (CH) | 73.2 |
| 4 (CH2) | 42.2 |
| 5 (C) | 77.9 |
| 6 (C) | 79.1 |
| 7 (CH) | 132.8 |
| 8 (CH) | 134.7 |
| 9 (CH) | 78.8 |
| 10 (CH3) | 21.8 |
| 11 (CH3) | 26.3 |
| 12 (CH3) | 27.5 |
| 13 (CH3) | 27.7 |
| 1' (CH) | 102.2 |
| 2' (CH) | 75 |
| 3' (CH) | 78 |
| 4' (CH) | 71.6 |
| 5' (CH) | 77.8 |
| 6' (CH2) | 62.8 |
| 1'' (CH) | 102.6 |
| 2'' (CH) | 75.3 |
| 3'' (CH) | 78.1 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 77.7 |
| 6'' (CH2) | 62.7 |
