Spektraris NMR
3α-Hydroxyvalpara-4,15-dien-2-one
Common Name: 3α-Hydroxyvalpara-4,15-dien-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-13(2)14-6-10-19(4)15(14)7-9-18(3)12-17(21)20(5,22)11-8-16(18)19/h8,11,14-16,22H,1,6-7,9-10,12H2,2-5H3/t14-,15+,16+,18+,19+,20-/m0/s1
InChIKey: InChIKey=JQQHFIYBHXOKCW-QWFGBESBSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodilla, J.M.L., De Mendonca, D.I.M., Urones, J.G., Moro, R.F. Phytochemistry (1998) 49, 817-22
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Valparanes; 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 (CH2) | 51.4 |
| 2 (C) | 213.6 |
| 3 (C) | 16.1 |
| 4 (CH) | 132.2 |
| 5 (CH) | 131.9 |
| 6 (CH) | 54.3 |
| 7 (C) | 43.8 |
| 8 (CH) | 54.4 |
| 9 (CH2) | 21.7 |
| 10 (CH2) | 40.8 |
| 11 (C) | 43.1 |
| 12 (CH2) | 41 |
| 13 (CH2) | 26.9 |
| 14 (CH) | 45.4 |
| 15 (C) | 147.8 |
| 16 (CH2) | 110.4 |
| 17 (CH3) | 25.1 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 27.5 |
| 20 (CH3) | 23.9 |
