Spektraris NMR
Valpara-3,15-dien-2β-ol
Common Name: Valpara-3,15-dien-2β-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O/c1-13(2)15-8-11-20(5)16(15)9-10-19(4)12-17(21)14(3)6-7-18(19)20/h6,15-18,21H,1,7-12H2,2-5H3/t15-,16+,17-,18+,19+,20+/m0/s1
InChIKey: InChIKey=HLNHNIJLSFGRRK-XYWBXWKWSA-N
Formula: C20H32O1
Molecular Weight: 288.468227
Exact Mass: 288.245316
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) | 55.3 |
| 2 (CH) | 69.2 |
| 3 (C) | 143 |
| 4 (CH) | 124.3 |
| 5 (CH2) | 26 |
| 6 (CH) | 56.8 |
| 7 (C) | 46.3 |
| 8 (CH) | 55 |
| 9 (CH2) | 21.5 |
| 10 (CH2) | 45.3 |
| 11 (C) | 37.1 |
| 12 (CH2) | 41.4 |
| 13 (CH2) | 26.9 |
| 14 (CH) | 46.5 |
| 15 (C) | 148.4 |
| 16 (CH2) | 110.3 |
| 17 (CH3) | 25 |
| 18 (CH3) | 16 |
| 19 (CH3) | 19.7 |
| 20 (CH3) | 21.2 |
