Spektraris NMR
Sinularolide E
Common Name: Sinularolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-12-7-5-9-13(2)17(21)18-15(14(3)19(22)23-18)11-16-20(4,24-16)10-6-8-12/h8-9,15-18,21H,3,5-7,10-11H2,1-2,4H3/b12-8+,13-9+/t15-,16+,17+,18-,20-/m1/s1
InChIKey: InChIKey=HVJGVUTXXJGUKC-SVVHEQHSSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Li, G., Zhang, Y., Deng, Z., van Ofwegen, L., Proksch, P., Lin, W. J Nat Prod (2005) 68, 649-52
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (CH) | 42 |
| 2 (CH) | 81.6 |
| 3 (CH) | 80.9 |
| 4 (C) | 132.4 |
| 5 (CH) | 130.7 |
| 6 (CH2) | 24.5 |
| 7 (CH2) | 38.7 |
| 8 (C) | 134 |
| 9 (CH) | 124.6 |
| 10 (CH2) | 24.6 |
| 11 (CH2) | 38.2 |
| 12 (C) | 59.1 |
| 13 (CH) | 62.9 |
| 14 (CH2) | 31.5 |
| 15 (C) | 139.8 |
| 16 (C) | 168.3 |
| 17 (CH2) | 122.8 |
| 18 (CH3) | 11.9 |
| 19 (CH3) | 14.8 |
| 20 (CH3) | 16.3 |
