Spektraris NMR
(-)-4a-O-Acetyl-selin-11-en
Common Name: (-)-4a-O-Acetyl-selin-11-en
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H28O2/c1-12(2)14-7-10-16(4)8-6-9-17(5,15(16)11-14)19-13(3)18/h14-15H,1,6-11H2,2-5H3/t14?,15-,16-,17-/m1/s1
InChIKey: InChIKey=HMOQLGSFVQRRMO-XMMHPARDSA-N
Formula: C17H28O2
Molecular Weight: 264.403661
Exact Mass: 264.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., Wang, S.K., Weng, Y.L., Chiang, M.Y., Dai, C.F. J Nat Prod (1999) 62, 1518-21
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) | 40.6 |
| 2 (CH2) | 19.6 |
| 3 (CH2) | 37.8 |
| 4 (C) | 85.8 |
| 5 (CH) | 51.9 |
| 6 (CH2) | 26.3 |
| 7 (CH) | 46.2 |
| 8 (CH2) | 26.9 |
| 9 (CH2) | 44.9 |
| 10 (C) | 34.7 |
| 11 (C) | 150.8 |
| 12 (CH2) | 108.2 |
| 13 (CH3) | 20.9 |
| 14 (CH3) | 19.1 |
| 15 (CH3) | 18.8 |
| 4a (C) | 170.5 |
| 4b (CH3) | 22.8 |
