Spektraris NMR
8-Desoxy-3α,4α-epoxyrupiculin-A
Common Name: 8-Desoxy-3α,4α-epoxyrupiculin-A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O4/c1-7-4-5-9-8(2)13(16)18-11(9)12-14(3)10(19-14)6-15(7,12)17/h4,9-12,17H,2,5-6H2,1,3H3/t9-,10+,11-,12-,14+,15+/m0/s1
InChIKey: InChIKey=NGYJYTUCBSUEIL-ABBQYLIMSA-N
Formula: C15H18O4
Molecular Weight: 262.301592
Exact Mass: 262.120509
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Hilmi, F., Sticher, O., Heilmann, J. J Nat Prod (2002) 65, 523-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 81.2 |
| 2 (CH2) | 42.1 |
| 3 (CH) | 63.3 |
| 4 (C) | 67.5 |
| 5 (CH) | 59.9 |
| 6 (CH) | 80.8 |
| 7 (CH) | 45.4 |
| 8 (CH2) | 30.4 |
| 9 (CH) | 120.4 |
| 10 (C) | 138.2 |
| 11 (C) | 138.3 |
| 12 (C) | 169.5 |
| 13 (CH2) | 120.8 |
| 14 (CH3) | 25 |
| 15 (CH3) | 19.5 |
