Spektraris NMR
Yinxiancaoside A
Common Name: Yinxiancaoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O9/c1-8-9-3-14-20(2,5-12(9)29-18(8)26)10-4-11(10)21(14,27)7-28-19-17(25)16(24)15(23)13(6-22)30-19/h10-17,19,22-25,27H,3-7H2,1-2H3/t10-,11+,12+,13-,14-,15-,16+,17-,19-,20+,21-/m1/s1
InChIKey: InChIKey=GZRHERDSMGVGTP-AYHVBEGQSA-N
Formula: C21H30O9
Molecular Weight: 426.458321
Exact Mass: 426.188983
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 : Sesquiterpenoids, Group : Cycloeudesmanes; 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 (CH) | 27.8 |
| 2 (CH2) | 11.7 |
| 3 (CH) | 30.5 |
| 4 (C) | 79.5 |
| 5 (CH) | 69.4 |
| 6 (CH2) | 24.5 |
| 7 (C) | 166 |
| 8 (CH) | 81.5 |
| 9 (CH2) | 48.5 |
| 10 (C) | 40.3 |
| 11 (C) | 122.2 |
| 12 (C) | 177 |
| 13 (CH3) | 8.2 |
| 14 (CH3) | 18.5 |
| 15 (CH2) | 73.1 |
| 1' (CH) | 104.4 |
| 2' (CH) | 75.3 |
| 3' (CH) | 77.9 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.8 |
