Spektraris NMR
Dehydrobrachylaenolide
Common Name: Dehydrobrachylaenolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H16O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7,10,12-13H,1-2,4,6H2,3H3/t10-,12+,13-,15-/m0/s1
InChIKey: InChIKey=GYBDKJQMRUKMGE-QJZXMWHDSA-N
Formula: C15H16O3
Molecular Weight: 244.286305
Exact Mass: 244.109944
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Higuchi, Y., Shimoma, F., Koyanagi, R., Suda, K., Mitsui, T., Kataoka, T., Nagai, K., Ando, M. J Nat Prod (2003) 66, 588-94
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 13 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) | 158.4 |
| 2 (CH) | 127.5 |
| 3 (C) | 187.7 |
| 4 (C) | 140.4 |
| 5 (CH) | 52.6 |
| 6 (CH) | 79.1 |
| 7 (CH) | 49.4 |
| 8 (CH2) | 21.1 |
| 9 (CH2) | 36 |
| 10 (C) | 39.7 |
| 11 (C) | 138.1 |
| 12 (C) | 170 |
| 13 (CH2) | 117.7 |
| 14 (CH3) | 19.6 |
| 15 (CH2) | 122.3 |
