Common Name: nubenolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H16O4/c1-6-4-9(16)11-7(2)5-10-13(14(17)12(6)11)8(3)15(18)19-10/h4,10,12,14,17H,5H2,1-3H3/t10-,12-,14+/m1/s1
InChIKey: InChIKey=ASIVTMRMNHENCL-QKCSRTOESA-N
Formula: C15H16O4
Molecular Weight: 260.28571
Exact Mass: 260.104859
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ali, M.S., Ahmed, W., Armstrong, A.F., Ibrahim, S.A., Ahmed, S., Parvez, M. Chem Pharm Bull (2006) 54, 1235-8
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)
Position | PPM |
---|---|
1 (C) | 135.4 |
2 (C) | 195.8 |
3 (CH) | 135.3 |
4 (C) | 173.1 |
5 (CH) | 53.3 |
6 (CH) | 75.1 |
7 (C) | 164.6 |
8 (CH) | 77.6 |
9 (CH2) | 41.7 |
10 (C) | 141.7 |
11 (C) | 122.7 |
12 (C) | 174.2 |
13 (CH3) | 10.5 |
14 (CH3) | 21 |
15 (CH3) | 20.1 |