Spektraris NMR
Sibiricinone A
Common Name: Sibiricinone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O6/c1-11-14(22)15(23)16-18(2,3)7-5-8-19(16,4)20(11,25)9-6-12-10-13(21)26-17(12)24/h10-11,14,16-17,22,24-25H,5-9H2,1-4H3/t11-,14-,16+,17?,19+,20-/m1/s1
InChIKey: InChIKey=ORLJFXGZZYWOIF-VOYILKFQSA-N
Formula: C20H30O6
Molecular Weight: 366.44937
Exact Mass: 366.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Boalino, D.M., McLean, S., Reynolds, W.F., Tinto, W.F. J Nat Prod (2004) 67, 714-7
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) | 31.6 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 41.9 |
| 4 (C) | 32.2 |
| 5 (CH) | 55.9 |
| 6 (C) | 211.3 |
| 7 (CH) | 77.1 |
| 8 (CH) | 47.5 |
| 9 (C) | 77.2 |
| 10 (C) | 49 |
| 11 (CH2) | 30.9 |
| 12 (CH2) | 21.5 |
| 13 (C) | 169.1 |
| 14 (CH) | 117.8 |
| 15 (C) | 170.6 |
| 16 (CH) | 98.6 |
| 17 (CH3) | 12.4 |
| 18 (CH3) | 32.6 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 18.2 |
