Spektraris NMR
Phyperunolide A
Common Name: Phyperunolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)18-9-11-27(33)17-13-22-28(35-22)20(30)7-6-19(29)25(28,4)16(17)8-10-24(18,27)3/h6-7,9,16-17,20-22,30,32-33H,8,10-13H2,1-5H3/t16-,17+,20-,21+,22+,24+,25-,26+,27+,28+/m0/s1
InChIKey: InChIKey=SIKZNVCVFKYREE-LTCWBFOISA-N
Formula: C28H36O7
Molecular Weight: 484.582307
Exact Mass: 484.246104
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Lan, Y.H., Chang, F.R., Pan, M.J., Wu, C.C., Wu, S.J., Chen, S.L., Wang, S.S., Wu, M.J., Wu, Y.C. Food Chem (2009) 116, 462-9
Species:
Notes: Family : Steroids, Type : Ergostanes, Group : Withanolides; 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) | 202.4 |
| 2 (CH) | 132.6 |
| 3 (CH) | 144.7 |
| 4 (CH) | 70.4 |
| 5 (C) | 64.7 |
| 6 (CH) | 60.7 |
| 7 (CH2) | 26.5 |
| 8 (CH) | 32.1 |
| 9 (CH) | 38 |
| 10 (C) | 48.6 |
| 11 (CH2) | 20.5 |
| 12 (CH2) | 28 |
| 13 (C) | 52.5 |
| 14 (C) | 84.4 |
| 15 (CH2) | 40.2 |
| 16 (CH) | 124.5 |
| 17 (C) | 157.4 |
| 18 (CH3) | 22 |
| 19 (CH3) | 16.7 |
| 20 (C) | 74.6 |
| 21 (CH3) | 24.4 |
| 22 (CH) | 81.3 |
| 23 (CH2) | 30.3 |
| 24 (C) | 150.7 |
| 25 (C) | 121 |
| 26 (C) | 165.8 |
| 27 (CH3) | 12.5 |
| 28 (CH3) | 20.2 |
