Spektraris NMR
Passifloricin A
Common Name: Passifloricin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-22(27)19-23(28)20-24(29)21-25-17-15-18-26(30)31-25/h15,18,22-25,27-29H,2-14,16-17,19-21H2,1H3/t22-,23-,24+,25?/m0/s1
InChIKey: InChIKey=ZRSGGHWJPOEZQF-YTGPUZKVSA-N
Formula: C26H48O5
Molecular Weight: 440.657314
Exact Mass: 440.350175
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Echeverri F., Arango V., Quinones W., Torres F., Escobar G., Rosero Y., Archbold R. Phytochemistry (2001) 56, 881-5
Species:
Notes: Family : Pyranes, Type : Pyrones; 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 |
|---|---|
| 2 (C) | 164.24 |
| 3 (CH) | 147.28 |
| 4 (CH) | 120.02 |
| 5 (CH2) | 31.31 |
| 6 (CH) | 75.91 |
| 1' (CH2) | 42.18 |
| 2' (CH) | 65.47 |
| 3' (CH2) | 44.74 |
| 4' (CH) | 69.09 |
| 5' (CH2) | 34.17 |
| 6' (CH) | 70.33 |
| 7' (CH2) | 37.58 |
| 8' (CH2) | 25.62 |
| 9' (CH2) | 29.64 |
| 10' (CH2) | 29.42 |
| 11' (CH2) | 29.24 |
| 12' (CH2) | 29.59 |
| 13' (CH2) | 29.5 |
| 14' (CH2) | 29.51 |
| 15' (CH2) | 29.25 |
| 16' (CH2) | 29.15 |
| 17' (CH2) | 29.08 |
| 18' (CH2) | 28.96 |
| 19' (CH2) | 33.63 |
| 20' (CH2) | 22.45 |
| 21' (CH3) | 14.28 |
