Spektraris NMR
Deacetylherbolide A
Common Name: Deacetylherbolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-9-5-4-6-10(2)13(16)8-12-11(3)15(17)18-14(12)7-9/h6-7,11-14,16H,4-5,8H2,1-3H3/b9-7+,10-6+/t11-,12-,13-,14+/m0/s1
InChIKey: InChIKey=IEWXWMUMAOWZMT-ALCUIIQASA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, H., Liao, Z.X., Yue, J.M. Helv Chim Acta (2004) 87, 976-82
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 13 13 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) | 129.3 |
| 2 (CH2) | 25.5 |
| 3 (CH2) | 39.4 |
| 4 (C) | 140.1 |
| 5 (CH) | 127.2 |
| 6 (CH) | 80.9 |
| 7 (CH) | 51.5 |
| 8 (CH2) | 36.5 |
| 9 (CH) | 79.6 |
| 10 (C) | 138.9 |
| 11 (CH) | 42 |
| 12 (C) | 178.2 |
| 13 (CH3) | 13.3 |
| 14 (CH3) | 10.7 |
| 15 (CH3) | 17.3 |
