Spektraris NMR
2β-Acetoxyvalpara-4,15-dien-3β-ol
Common Name: 2β-Acetoxyvalpara-4,15-dien-3β-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O3/c1-14(2)16-7-11-21(5)17(16)8-10-20(4)13-19(25-15(3)23)22(6,24)12-9-18(20)21/h9,12,16-19,24H,1,7-8,10-11,13H2,2-6H3/t16-,17+,18+,19-,20+,21+,22-/m0/s1
InChIKey: InChIKey=SRFPCULARJMZPF-CKBSPGBPSA-N
Formula: C22H34O3
Molecular Weight: 346.50439
Exact Mass: 346.250795
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) | 50.4 |
| 2 (CH) | 75.4 |
| 3 (C) | 74.9 |
| 4 (CH) | 136.7 |
| 5 (CH) | 130.6 |
| 6 (CH) | 56.2 |
| 7 (C) | 45.1 |
| 8 (CH) | 53.9 |
| 9 (CH2) | 21.1 |
| 10 (CH2) | 44.2 |
| 11 (C) | 37.3 |
| 12 (CH2) | 41.2 |
| 13 (CH2) | 26.9 |
| 14 (CH) | 45.8 |
| 15 (C) | 147.8 |
| 16 (CH2) | 110.6 |
| 17 (CH3) | 25 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 21.1 |
| 20 (CH3) | 20 |
| 2a (C) | 170.8 |
| 2b (CH3) | 21.4 |
