Spektraris NMR
(1S)-1-Acetoxymyodesert-3-ene
Common Name: (1S)-1-Acetoxymyodesert-3-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C12H18O3/c1-7-4-5-10-8(2)6-14-12(11(7)10)15-9(3)13/h6-7,10-12H,4-5H2,1-3H3/t7-,10-,11-,12+/m1/s1
InChIKey: InChIKey=UVHMHLNMYIOYOX-PUYANOKMSA-N
Formula: C12H18O3
Molecular Weight: 210.269979
Exact Mass: 210.125594
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Grant, H.G., Russellmaynard, C.A., Sutherland, M.D. Aust J Chem (1985) 38, 325-36
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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) | 90.8 |
| 3 (CH) | 134.7 |
| 4 (C) | 113.4 |
| 5 (CH) | 35.3 |
| 6 (CH2) | 29.1 |
| 7 (CH2) | 32.8 |
| 8 (CH) | 37 |
| 9 (CH) | 42.7 |
| 10 (CH3) | 16.3 |
| 11 (CH3) | 16 |
| 1a (C) | 169.8 |
| 1b (CH3) | 21.2 |
