Spektraris NMR
3b-Acetoxy-6,9-dien-8-oxoeremophil-12-nor-11-ketone
Common Name: 3b-Acetoxy-6,9-dien-8-oxoeremophil-12-nor-11-ketone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H20O4/c1-9-15(20-11(3)18)6-5-12-7-14(19)13(10(2)17)8-16(9,12)4/h7-9,15H,5-6H2,1-4H3/t9-,15-,16+/m0/s1
InChIKey: InChIKey=RQTYWIJTLNUEQV-BNGAFQBXSA-N
Formula: C16H20O4
Molecular Weight: 276.328209
Exact Mass: 276.136159
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, J.Q., Li, Y.S., Li, Y.M., Jiang, S.H., Tan, C.H., Zhu, D.Y. Planta Med (2006) 72, 567-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 27.7 |
| 2 (CH2) | 32.5 |
| 3 (CH) | 72.9 |
| 4 (CH) | 42.3 |
| 5 (C) | 43.7 |
| 6 (CH) | 158.9 |
| 7 (C) | 136.4 |
| 8 (C) | 183.6 |
| 9 (CH) | 125.5 |
| 10 (C) | 166.5 |
| 11 (C) | 199 |
| 12 (CH3) | 31 |
| 14 (CH3) | 19.9 |
| 15 (CH3) | 12.2 |
| 3a (C) | 170.2 |
| 3b (CH3) | 21.2 |
