Spektraris NMR
Carandoside
Common Name: Carandoside
Synonyms: Carandoside
CAS Registry Number:
InChI: InChI=1S/C21H32O8/c1-10-12-7-11(20(2,3)27)5-6-21(12,4)15(8-13(10)23)29-19-18(26)17(25)16(24)14(9-22)28-19/h8,11,14,16-19,22,24-27H,5-7,9H2,1-4H3/t11-,14+,16+,17-,18+,19-,21-/m0/s1
InChIKey: InChIKey=LVIJYDSIBAIOBY-NPIOFVJISA-N
Formula: C21H32O8
Molecular Weight: 412.474797
Exact Mass: 412.209718
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Wangteeraprasert, R., Likhitwitayawuid, K. Helv Chim Acta (2009) 92, 1217-23
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 180.3 |
| 2 (CH) | 103.3 |
| 3 (C) | 189.1 |
| 4 (C) | 127.4 |
| 5 (C) | 159.3 |
| 6 (CH2) | 28.1 |
| 7 (CH) | 51.7 |
| 8 (CH2) | 22.3 |
| 9 (CH2) | 36.8 |
| 10 (C) | 43.3 |
| 11 (C) | 71.9 |
| 12 (CH3) | 26.7 |
| 13 (CH3) | 25.4 |
| 14 (CH3) | 22.2 |
| 15 (CH3) | 9.7 |
| 1' (CH) | 100.1 |
| 2' (CH) | 73.6 |
| 3' (CH) | 77 |
| 4' (CH) | 70 |
| 5' (CH) | 77.4 |
| 6' (CH2) | 61.2 |
