Spektraris NMR
Helibisabonol A
Common Name: Helibisabonol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O4/c1-9(5-6-14(18)15(3,4)19)11-8-12(16)10(2)7-13(11)17/h7-9,14,16-19H,5-6H2,1-4H3/t9-,14+/m1/s1
InChIKey: InChIKey=TXJTUGYAWQRATI-OTYXRUKQSA-N
Formula: C15H24O4
Molecular Weight: 268.349236
Exact Mass: 268.167459
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Macias F.A., Torres A., Galindo J.L., Varela R.M., Alvarez J.A., Molinillo J.M. Phytochemistry (2002) 61, 687-92
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) | 113.3 |
| 2 (C) | 148.8 |
| 3 (C) | 121.9 |
| 4 (CH) | 117.9 |
| 5 (C) | 147.5 |
| 6 (C) | 132.1 |
| 7 (CH) | 29.8 |
| 8 (CH2) | 35.4 |
| 9 (CH2) | 24.4 |
| 10 (CH) | 79.2 |
| 11 (C) | 72.4 |
| 12 (CH3) | 25.5 |
| 13 (CH3) | 29 |
| 14 (CH3) | 21.1 |
| 15 (CH3) | 15.4 |
