Spektraris NMR
Sibiricinone E
Common Name: Sibiricinone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O5/c1-13-15(22)16(23)17-18(2,3)7-6-8-19(17,4)21(13)10-9-20(26-21)11-14(24-5)25-12-20/h13-14,16-17,23H,6-12H2,1-5H3/t13-,14+,16-,17+,19+,20+,21-/m1/s1
InChIKey: InChIKey=NZPBUNQOXRUEEE-JQYWCJBQSA-N
Formula: C21H34O5
Molecular Weight: 366.492464
Exact Mass: 366.240624
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) | 34 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 43.8 |
| 4 (C) | 35 |
| 5 (CH) | 50 |
| 6 (CH) | 76.1 |
| 7 (C) | 210.1 |
| 8 (CH) | 45.5 |
| 9 (C) | 96.7 |
| 10 (C) | 43.1 |
| 11 (CH2) | 29.8 |
| 12 (CH2) | 37.5 |
| 13 (C) | 90.4 |
| 14 (CH2) | 47 |
| 15 (CH) | 105 |
| 16 (CH2) | 77.1 |
| 17 (CH3) | 9.3 |
| 18 (CH3) | 32.7 |
| 19 (CH3) | 24.7 |
| 20 (CH3) | 20.1 |
| 15a (CH3) | 54.9 |
