Spektraris NMR
Barbiacoradienone
Common Name: Barbiacoradienone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O5/c1-10(2)16-15(22)9-12(4)19(16)8-7-11(3)17(23-13(5)20)18(19)24-14(6)21/h7,12,17-18H,8-9H2,1-6H3/t12-,17-,18-,19?/m1/s1
InChIKey: InChIKey=KTPMGTIXJWEUNR-NBCYARMLSA-N
Formula: C19H26O5
Molecular Weight: 334.407466
Exact Mass: 334.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Takaoka, S., Huneck, S., Asakawa, Y. Phytochemistry (1999) 51, 563-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Acoranes; 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) | 49.8 |
| 2 (CH) | 72.5 |
| 3 (CH) | 69.2 |
| 4 (C) | 130.7 |
| 5 (CH) | 124.9 |
| 6 (CH2) | 34.9 |
| 7 (C) | 134.3 |
| 8 (C) | 206.2 |
| 9 (CH2) | 45.8 |
| 10 (CH) | 35.2 |
| 11 (C) | 150.3 |
| 12 (CH3) | 23.1 |
| 13 (CH3) | 24.4 |
| 14 (CH3) | 18.7 |
| 15 (CH3) | 19.5 |
| 2a (C) | 170.1 |
| 2b (CH3) | 21 |
| 3a (C) | 169.7 |
| 3b (CH3) | 21.1 |
