Spektraris NMR
Sibiricinone B
Common Name: Sibiricinone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-11-13(7-6-12-10-14(21)25-18(12)24)20(4)9-5-8-19(2,3)17(20)16(23)15(11)22/h10,16-18,23-24H,5-9H2,1-4H3/t16-,17+,18?,20-/m1/s1
InChIKey: InChIKey=XMFSQKSJFSGAHJ-NHJHPMQKSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
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) | 37.4 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 43.4 |
| 4 (C) | 34 |
| 5 (CH) | 54.4 |
| 6 (CH) | 71 |
| 7 (C) | 199 |
| 8 (C) | 129 |
| 9 (C) | 167.6 |
| 10 (C) | 41 |
| 11 (CH2) | 32.7 |
| 12 (CH2) | 26.9 |
| 13 (C) | 168.1 |
| 14 (CH) | 118.1 |
| 15 (C) | 170.4 |
| 16 (CH) | 98.2 |
| 17 (CH3) | 11.6 |
| 18 (CH3) | 32.4 |
| 19 (CH3) | 24 |
| 20 (CH3) | 22.1 |
