Spektraris NMR
Integrifoside A
Common Name: Integrifoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O8/c1-10(2)11-7-14-20(3,8-12(11)23)6-5-15(21(14,4)27)29-19-18(26)17(25)16(24)13(9-22)28-19/h11-19,22-27H,1,5-9H2,2-4H3/t11-,12+,13+,14+,15-,16+,17-,18+,19-,20+,21-/m0/s1
InChIKey: InChIKey=YCBFPRSZKYUJNI-DPZMMSJYSA-N
Formula: C21H36O8
Molecular Weight: 416.50656
Exact Mass: 416.241018
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ono, M., Masuoka, C., Odake, Y., Ito, Y., Nohara, T. Phytochemistry (2000) 53, 479-84
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 (CH2) | 40.4 |
| 2 (CH2) | 26.3 |
| 3 (CH) | 90.4 |
| 4 (C) | 73.5 |
| 5 (CH) | 46.9 |
| 6 (CH2) | 19 |
| 7 (CH) | 48.4 |
| 8 (CH) | 68 |
| 9 (CH2) | 47.3 |
| 10 (C) | 34.7 |
| 11 (C) | 146.6 |
| 12 (CH2) | 111.3 |
| 13 (CH3) | 23.3 |
| 14 (CH3) | 21.4 |
| 15 (CH3) | 18.8 |
| 1' (CH) | 104.9 |
| 2' (CH) | 74.5 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.4 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.3 |
