Spektraris NMR
Tinocordifolioside
Common Name: Tinocordifolioside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O8/c1-9-5-6-10-13(17-18(28-17)21(10,4)12(23)7-9)20(2,3)29-19-16(26)15(25)14(24)11(8-22)27-19/h7,10-11,13-19,22,24-26H,5-6,8H2,1-4H3/t10-,11+,13-,14+,15-,16+,17+,18+,19-,21+/m0/s1
InChIKey: InChIKey=AUAJDLKIRGSSTH-FBNONBAFSA-N
Formula: C21H32O8
Molecular Weight: 412.474797
Exact Mass: 412.209718
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maurya, R., Handa, S.S. Phytochemistry (1998) 49, 1343-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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) | 204.9 |
| 2 (CH) | 121.3 |
| 3 (C) | 170.8 |
| 4 (CH2) | 20.1 |
| 5 (CH2) | 36.6 |
| 6 (CH) | 56.9 |
| 7 (CH) | 48.9 |
| 8 (CH) | 55.1 |
| 9 (CH) | 54.4 |
| 10 (C) | 56.9 |
| 11 (C) | 80.3 |
| 12 (CH3) | 23.7 |
| 13 (CH3) | 23.8 |
| 14 (CH3) | 24.1 |
| 15 (CH3) | 20.2 |
| 1' (CH) | 96.9 |
| 2' (CH) | 75.3 |
| 3' (CH) | 76.7 |
| 4' (CH) | 70.4 |
| 5' (CH) | 73.6 |
| 6' (CH2) | 62.3 |
