Spektraris NMR
Estafietin
Common Name: Estafietin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O3/c1-7-4-5-9-8(2)14(16)17-13(9)12-10(7)6-11-15(12,3)18-11/h9-13H,1-2,4-6H2,3H3/t9-,10-,11+,12-,13-,15+/m0/s1
InChIKey: InChIKey=MFXYIKGJSJSAJT-MRWSCNBVSA-N
Formula: C15H18O3
Molecular Weight: 246.302187
Exact Mass: 246.125594
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Heluani, C.S.d., Lampasona, M.P.d., Catalan, C.A.N., Goedken, V.L., Gutierrez, A.B., Herz, W. Phytochemistry (1989) 28, 1931-5
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 (CH) | 44.8 |
| 2 (CH2) | 32.9 |
| 3 (CH) | 62.2 |
| 4 (C) | 65 |
| 5 (CH) | 50.7 |
| 6 (CH) | 79.4 |
| 7 (CH) | 43.8 |
| 8 (CH2) | 28.8 |
| 9 (CH2) | 28.5 |
| 10 (C) | 146.5 |
| 11 (C) | 140.4 |
| 12 (C) | 168.3 |
| 13 (CH2) | 118.4 |
| 14 (CH2) | 114.3 |
| 15 (CH3) | 18.6 |
