Spektraris NMR
Hernandulcin
Common Name: Hernandulcin
Synonyms: Hernandulcin
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-11(2)6-5-9-15(4,17)13-8-7-12(3)10-14(13)16/h6,10,13,17H,5,7-9H2,1-4H3/t13-,15+/m1/s1
InChIKey: InChIKey=HYQNKKAJVPMBDR-HIFRSBDPSA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ono, M., Tsuru, T., Abe, H., Eto, M., Okawa, M., Abe, F., Kinjo, J., Ikeda, T., Nohara, T. J Nat Prod (2006) 69, 1417-20
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 (C) | 204 |
| 2 (CH) | 127.4 |
| 3 (C) | 163.6 |
| 4 (CH2) | 31.2 |
| 5 (CH2) | 25 |
| 6 (CH) | 52 |
| 7 (C) | 73.9 |
| 8 (CH2) | 40.1 |
| 9 (CH2) | 21.5 |
| 10 (CH) | 124.4 |
| 11 (C) | 131.4 |
| 12 (CH3) | 17.6 |
| 13 (CH3) | 25.7 |
| 14 (CH3) | 23.6 |
| 15 (CH3) | 24.1 |
