Spektraris NMR
10-Acetoxy-8,9-Dehydro-6-Methoxy Thymolisobutyrate
Common Name: 10-Acetoxy-8,9-Dehydro-6-Methoxy Thymolisobutyrate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H22O5/c1-10(2)17(19)22-16-7-11(3)15(20-6)8-14(16)12(4)9-21-13(5)18/h7-8,10H,4,9H2,1-3,5-6H3
InChIKey: InChIKey=DHHGGSJGACOCPQ-UHFFFAOYSA-N
Formula: C17H22O5
Molecular Weight: 306.354231
Exact Mass: 306.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gonzalez, A.G., Bermejo Barrera, J., Estevez Rosas, F., Yanes Hernandez, A.C., Espineira, J., Joseph Nathan, P. Phytochemistry (1986) 25, 2889-91
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : p-Menthanes; 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 (C) | 122 |
| 2 (CH) | 124.4 |
| 3 (C) | 140.4 |
| 4 (C) | 127.4 |
| 5 (CH) | 110.7 |
| 6 (C) | 146 |
| 7 (CH3) | 16 |
| 8 (C) | 146 |
| 9 (CH2) | 116.7 |
| 10 (CH2) | 66.1 |
| 3a (C) | 175.4 |
| 3b (CH) | 34 |
| 3c (CH3) | 18.9 |
| 3ba (CH3) | 18.9 |
| 6a (CH3) | 56.1 |
| 10a (C) | 170.2 |
| 10b (CH3) | 20.9 |
