Spektraris NMR
rel-1S,2S-Epoxy-4R-furanogermacr-10(15)-en-6-one
Common Name: rel-1S,2S-Epoxy-4R-furanogermacr-10(15)-en-6-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O3/c1-8-4-11(16)14-10(3)7-17-12(14)6-9(2)15-13(5-8)18-15/h7-8,13,15H,2,4-6H2,1,3H3/t8-,13-,15+/m0/s1
InChIKey: InChIKey=DHQZOOQNUWHCML-MIUALZABSA-N
Formula: C15H18O3
Molecular Weight: 246.302187
Exact Mass: 246.125594
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhu, N., Kikuzaki, H., Sheng, S., Sang, S., Rafi, M.M., Wang, M., Nakatani, N., DiPaola, R.S., Rosen, R.T., Ho, C.T. J Nat Prod (2001) 64, 1460-2
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 59.7 |
| 2 (CH) | 61.4 |
| 3 (CH2) | 39.9 |
| 4 (CH) | 29.3 |
| 5 (CH2) | 53.4 |
| 6 (C) | 200.7 |
| 7 (C) | 123.3 |
| 8 (C) | 157.1 |
| 9 (CH2) | 32.5 |
| 10 (C) | 141.4 |
| 11 (C) | 118 |
| 12 (CH) | 138.5 |
| 13 (CH3) | 10.1 |
| 14 (CH2) | 110.3 |
| 15 (CH3) | 24.1 |
