Spektraris NMR
Phyllolactone E
Common Name: Phyllolactone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O4/c1-7-23(2)12-8-13-24(3)17(23)11-14-25(4)18-10-9-16-21(22(29)31-27(16,6)30)26(18,5)20(28)15-19(24)25/h17-20,28,30H,7-15H2,1-6H3/t17-,18-,19+,20-,23-,24-,25-,26+,27-/m0/s1
InChIKey: InChIKey=SVISVOXFRVZRGG-NLGGWLQDSA-N
Formula: C27H42O4
Molecular Weight: 430.621001
Exact Mass: 430.30831
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Chang, L.C., Otero-Quintero, S., Nicholas, G.M., Bewley, C.A. Tetrahedron (2001) 57, 5731-8
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Scalaranes; 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) | 41 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 37.9 |
| 4 (C) | 37.4 |
| 5 (CH) | 60 |
| 6 (CH2) | 19 |
| 7 (CH2) | 42.9 |
| 8 (C) | 38.4 |
| 9 (CH) | 53.4 |
| 10 (C) | 38.9 |
| 11 (CH2) | 25.4 |
| 12 (CH) | 71.8 |
| 13 (C) | 41.5 |
| 14 (CH) | 50.8 |
| 15 (CH2) | 17.4 |
| 16 (CH2) | 24 |
| 17 (C) | 166 |
| 18 (C) | 136 |
| 19 (CH3) | 28.8 |
| 20 (CH2) | 25.2 |
| 21 (CH3) | 17.8 |
| 22 (CH3) | 17.5 |
| 23 (CH3) | 21.6 |
| 24 (C) | 106.8 |
| 25 (C) | 174 |
| 26 (CH3) | 23.3 |
| 27 (CH3) | 8.7 |
