Spektraris NMR
Methyl (-)-3α,4α-epoxyvalerenate
Common Name: Methyl (-)-3α,4α-epoxyvalerenate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H24O3/c1-10-5-6-12(9-11(2)14(17)18-4)16-13(10)7-8-15(16,3)19-16/h9-10,12-13H,5-8H2,1-4H3/b11-9+/t10-,12+,13-,15-,16+/m1/s1
InChIKey: InChIKey=JSDZJRCAVGZKIQ-NJDCKEETSA-N
Formula: C16H24O3
Molecular Weight: 264.360567
Exact Mass: 264.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dharmaratne, H.R., Nanayakkara, N.P., Khan, I.A. Planta Med (2002) 68, 661-2
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Valerenanes; 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) | 40.5 |
| 2 (CH2) | 21.6 |
| 3 (CH2) | 32.5 |
| 4 (C) | 71.3 |
| 5 (C) | 65.5 |
| 6 (CH) | 36.9 |
| 7 (CH) | 140.9 |
| 8 (CH2) | 23.9 |
| 9 (CH2) | 28.9 |
| 10 (CH) | 30.4 |
| 11 (C) | 128.1 |
| 12 (CH3) | 13.1 |
| 13 (C) | 168.9 |
| 14 (CH3) | 14.1 |
| 15 (CH3) | 15.3 |
| 13a (CH3) | 52.2 |
