Spektraris NMR
Scabrolide E
Common Name: Scabrolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H24O6/c1-10(2)11-4-5-13-17(22)16(24-18(13)23)9-19(3)8-14(21)15(25-19)7-12(20)6-11/h5,11,15-17,22H,1,4,6-9H2,2-3H3/b13-5-/t11-,15-,16+,17-,19-/m0/s1
InChIKey: InChIKey=OFFWLZVJUHOBDO-JORPYXKZSA-N
Formula: C19H24O6
Molecular Weight: 348.39099
Exact Mass: 348.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmed, A.F., Su, J.H., Kuo, Y.H., Sheu, J.H. J Nat Prod (2004) 67, 2079-82
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 |
| 2 (CH2) | 47.2 |
| 3 (C) | 206.3 |
| 4 (CH2) | 44.4 |
| 5 (CH) | 75.1 |
| 6 (C) | 215.1 |
| 7 (CH2) | 49 |
| 8 (C) | 79.5 |
| 9 (CH2) | 42 |
| 10 (CH) | 84.2 |
| 11 (CH) | 73.4 |
| 12 (C) | 133.4 |
| 13 (CH) | 144.8 |
| 14 (CH2) | 31.9 |
| 15 (C) | 147.7 |
| 16 (CH3) | 20.7 |
| 17 (CH2) | 110.8 |
| 19 (CH3) | 27.8 |
| 20 (C) | 168.2 |
