Spektraris NMR
(3aR,6S,7aR)-3-Methylene-6-methyl-6alpha-(4-oxopentyl)octahydrobenzofuran-2-one
Common Name: (3aR,6S,7aR)-3-Methylene-6-methyl-6alpha-(4-oxopentyl)octahydrobenzofuran-2-one
Synonyms: (3aR,6S,7aR)-3-Methylene-6-methyl-6alpha-(4-oxopentyl)octahydrobenzofuran-2-one
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-10(16)5-4-7-15(3)8-6-12-11(2)14(17)18-13(12)9-15/h12-13H,2,4-9H2,1,3H3/t12-,13-,15+/m1/s1
InChIKey: InChIKey=SDBXBJLDEPNBHF-NFAWXSAZSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, B.N., Takaishi, Y., Yabuuchi, T., Kusumi, T., Tori, M., Takaoka, S., Honda, G., Ito, M., Takeda, Y., Kodzhimatov, O.K., Ashurmetov, O. J Nat Prod (2001) 64, 466-71
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH2) | 34.3 |
| 2 (CH2) | 23.4 |
| 3 (CH2) | 43.7 |
| 4 (C) | 208.5 |
| 5 (CH2) | 17.3 |
| 6 (CH2) | 30.8 |
| 7 (CH) | 37.8 |
| 8 (CH) | 75.7 |
| 9 (CH2) | 37.4 |
| 10 (C) | 23 |
| 11 (C) | 139.1 |
| 12 (C) | 170.4 |
| 13 (CH2) | 122.7 |
| 14 (CH3) | 30.2 |
| 15 (CH3) | 18.3 |
