Spektraris NMR
3-Oxosalvipisone
Common Name: 3-Oxosalvipisone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O2/c1-7-18(4)13-14(21)16-19(5)11-8-10-17(2,3)15(19)9-12-20(16,6)22-18/h7,14-16,21H,1,8-13H2,2-6H3/t14-,15-,16+,18-,19-,20+/m0/s1
InChIKey: InChIKey=AMGQEODMUQXGFV-JFVPRCSHSA-N
Formula: C20H34O2
Molecular Weight: 306.483513
Exact Mass: 306.25588
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Topcu, G., Tan, N., Ulubelen, A., Sun, D., Watson, W.H. Phytochemistry (1995) 40, 501-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 39.22 |
| 2 (CH2) | 18.42 |
| 3 (CH2) | 41.92 |
| 4 (C) | 33.19 |
| 5 (CH) | 57.03 |
| 6 (CH2) | 20.14 |
| 7 (CH2) | 44.56 |
| 8 (C) | 74.8 |
| 9 (CH) | 56.45 |
| 10 (C) | 37.76 |
| 11 (CH) | 65.24 |
| 12 (CH2) | 44.2 |
| 13 (C) | 72.38 |
| 14 (CH) | 147.77 |
| 15 (CH2) | 110.47 |
| 16 (CH3) | 29.73 |
| 17 (CH3) | 27.44 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 21.38 |
| 20 (CH3) | 17.12 |
