Spektraris NMR
(4S)-2beta-Acetoxyvalparol-15-en-3-one
Common Name: (4S)-2beta-Acetoxyvalparol-15-en-3-one
Synonyms: (4S)-2beta-Acetoxyvalparol-15-en-3-one
CAS Registry Number:
InChI: InChI=1S/C22H34O3/c1-13(2)16-7-10-22(6)18(16)8-9-21(5)12-19(25-15(4)24)17(14(3)23)11-20(21)22/h16-20H,1,7-12H2,2-6H3/t16-,17+,18+,19-,20+,21+,22+/m0/s1
InChIKey: InChIKey=VMHQJSMVOWLASS-WRDRWKBOSA-N
Formula: C22H34O3
Molecular Weight: 346.50439
Exact Mass: 346.250795
NMR Solvent: C6D6
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) | 49.2 |
| 2 (CH) | 70.6 |
| 3 (C) | 207.5 |
| 4 (CH) | 56.1 |
| 5 (CH2) | 27.4 |
| 6 (CH) | 56 |
| 7 (C) | 44.6 |
| 8 (CH) | 55.1 |
| 9 (CH2) | 21.4 |
| 10 (CH2) | 43.4 |
| 11 (C) | 35.1 |
| 12 (CH2) | 41 |
| 13 (CH2) | 26.4 |
| 14 (CH) | 46.4 |
| 15 (C) | 147.9 |
| 16 (CH2) | 110.9 |
| 17 (CH3) | 25.2 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 28.7 |
| 20 (CH3) | 20.9 |
| 2a (C) | 169.3 |
| 2b (CH3) | 21 |
