Spektraris NMR
1beta-Hydroxy-11(S)-8-oxoeremophil-6,9-dien-12-al
Common Name: 1beta-Hydroxy-11(S)-8-oxoeremophil-6,9-dien-12-al
Synonyms: 1beta-Hydroxy-11(S)-8-oxoeremophil-6,9-dien-12-al
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-9(8-16)11-7-15(3)10(2)4-5-13(17)12(15)6-14(11)18/h6-10,13,17H,4-5H2,1-3H3/t9-,10+,13-,15-/m1/s1
InChIKey: InChIKey=VPFADTWMSCOYGD-YJKIEOBBSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, Q., Mu, Q., Shibano, M., Morris-Natschke, S.L., Lee, K.H., Chen, D.F. J Nat Prod (2007) 70, 1259-62
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 (CH) | 73.7 |
| 2 (CH2) | 34.3 |
| 3 (CH2) | 24.9 |
| 4 (CH) | 41.4 |
| 5 (C) | 44 |
| 6 (CH) | 154.2 |
| 7 (C) | 134.9 |
| 8 (C) | 185.4 |
| 9 (CH) | 125.5 |
| 10 (C) | 165.9 |
| 11 (CH) | 45.4 |
| 12 (CH) | 201.1 |
| 13 (CH3) | 12.9 |
| 14 (CH3) | 18.9 |
| 15 (CH3) | 16.1 |
