Spektraris NMR
1,2-Dehydro-1,10α-dihydropseudoivalin
Common Name: 1,2-Dehydro-1,10α-dihydropseudoivalin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-8-6-13-11(9(2)14(16)18-13)7-12-10(8)4-5-15(12,3)17/h4,8,11-13,17H,2,5-7H2,1,3H3/t8-,11+,12+,13+,15+/m0/s1
InChIKey: InChIKey=XRMJVTYQUFNCJQ-RPMKOLLGSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Stavri, M., Mathew, K.T., Gordon, A., Shnyder, S.D., Falconer, R.A., Gibbons, S. Phytochemistry (2008) 69, 1915-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 151.1 |
| 2 (CH) | 120.3 |
| 3 (CH2) | 47.5 |
| 4 (C) | 82.1 |
| 5 (CH) | 59.7 |
| 6 (CH2) | 32.7 |
| 7 (CH) | 43.3 |
| 8 (CH) | 82.6 |
| 9 (CH2) | 39.1 |
| 10 (CH) | 32.4 |
| 11 (C) | 142.4 |
| 12 (C) | 172.1 |
| 13 (CH2) | 122.9 |
| 14 (CH3) | 20.6 |
| 15 (CH3) | 24.7 |
