Spektraris NMR
Ottensinin
Common Name: Ottensinin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-15-13-22-11-8-17(15)21/h8,11,13,16,18H,1,5-7,9-10,12H2,2-4H3/t16-,18-,20+/m0/s1
InChIKey: InChIKey=RYPAZIHFMJWVQR-XKGZKEIXSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Boukouvalas, J., Wang, J.-X. Org Lett (2008) 10, 3397-9
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 |
| 2 (CH2) | 19.4 |
| 3 (CH2) | 42 |
| 4 (C) | 33.6 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 24.4 |
| 7 (CH2) | 38.1 |
| 8 (C) | 147.7 |
| 9 (CH) | 53.9 |
| 10 (C) | 40 |
| 11 (CH2) | 19.5 |
| 12 (C) | 129.8 |
| 13 (C) | 178.8 |
| 14 (CH) | 116.4 |
| 15 (CH) | 154.6 |
| 16 (CH) | 153 |
| 17 (CH2) | 107.8 |
| 18 (CH3) | 33.6 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 14.4 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.