Spektraris NMR
Nubenolide Acetate
Common Name: Nubenolide Acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H18O5/c1-7-5-11(19)13-8(2)6-12-15(9(3)17(20)22-12)16(14(7)13)21-10(4)18/h5,12,14,16H,6H2,1-4H3/t12-,14-,16+/m1/s1
InChIKey: InChIKey=ALBRNVBHUFSUBA-XPKDYRNWSA-N
Formula: C17H18O5
Molecular Weight: 302.322468
Exact Mass: 302.115424
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)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 133.9 |
| 2 (C) | 194.8 |
| 3 (CH) | 137 |
| 4 (C) | 167.5 |
| 5 (CH) | 50.5 |
| 6 (CH) | 75.4 |
| 7 (C) | 158.5 |
| 8 (CH) | 77 |
| 9 (CH2) | 42 |
| 10 (C) | 143.3 |
| 11 (C) | 122.5 |
| 12 (C) | 172.9 |
| 13 (CH3) | 9.6 |
| 14 (CH3) | 20.7 |
| 15 (CH3) | 19.9 |
| 6a (C) | 170 |
| 6b (CH3) | 21 |
