Spektraris NMR
Amoenolide E
Common Name: Amoenolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O9/c1-13-6-18(34-23-21(31)20(30)17(28)11-33-23)22-24(2,12-26)8-15(27)9-25(22,3)16(13)5-4-14-7-19(29)32-10-14/h7,15,17-18,20-23,26-28,30-31H,4-6,8-12H2,1-3H3/t15-,17-,18-,20-,21+,22-,23-,24-,25+/m0/s1
InChIKey: InChIKey=ZMWLHIAAIGLUFN-ZCCBDFNTSA-N
Formula: C25H38O9
Molecular Weight: 482.56479
Exact Mass: 482.251583
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - O'Mathuna, D.P., Doskotch, R.W. J Nat Prod (1995) 58, 82-92
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 47.12 |
| 2 (CH) | 64.15 |
| 3 (CH2) | 48.04 |
| 4 (C) | 40.27 |
| 5 (CH) | 49.06 |
| 6 (CH) | 79.1 |
| 7 (CH2) | 42.97 |
| 8 (C) | 126.55 |
| 9 (C) | 139.05 |
| 10 (C) | 42.74 |
| 11 (CH2) | 25.46 |
| 12 (CH2) | 29.27 |
| 13 (C) | 171.34 |
| 14 (CH) | 114.74 |
| 15 (C) | 174.27 |
| 16 (CH2) | 73.19 |
| 17 (CH3) | 19.31 |
| 18 (CH2) | 72.85 |
| 19 (CH3) | 20 |
| 20 (CH3) | 22.56 |
| 1' (CH) | 106.21 |
| 2' (CH) | 72.46 |
| 3' (CH) | 74.58 |
| 4' (CH) | 68.84 |
| 5' (CH2) | 66.13 |
