Spektraris NMR
Jasomontanone acetate
Common Name: Jasomontanone acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H28O4/c1-12(18)21-11-17-8-5-7-16(17,4)9-6-13(10-14(17)19)15(2,3)20/h13,20H,5-11H2,1-4H3/t13-,16-,17-/m1/s1
InChIKey: InChIKey=SWCITOZBMDDTAT-KBRIMQKVSA-N
Formula: C17H28O4
Molecular Weight: 296.402471
Exact Mass: 296.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Baser, K.H., Demirci, B., Iscan, G., Hashimoto, T., Demirci, F., Noma, Y., Asakawa, Y. Chem Pharm Bull (2006) 54, 222-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Jasonanes; 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) | 62.8 |
| 2 (C) | 212.2 |
| 3 (CH2) | 40.3 |
| 4 (CH) | 50.1 |
| 5 (CH2) | 24.8 |
| 6 (CH2) | 40.2 |
| 7 (C) | 43.6 |
| 8 (CH2) | 45.8 |
| 9 (CH2) | 22 |
| 10 (CH2) | 31.7 |
| 11 (C) | 72.6 |
| 12 (CH3) | 26.2 |
| 13 (CH3) | 28 |
| 14 (CH2) | 68 |
| 15 (CH3) | 22.7 |
| 14a (C) | 171 |
| 14b (CH3) | 20.8 |
