Spektraris NMR
Kalihinol K
Common Name: Kalihinol K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32N2O2/c1-14-8-9-16(18-15(14)10-12-21(4,25)19(18)23-6)22(5)13-11-17(26-22)20(2,3)24-7/h15-19,25H,1,8-13H2,2-5H3/t15-,16+,17+,18+,19-,21-,22-/m1/s1
InChIKey: InChIKey=QLVOXIULTKFQOQ-YHTKHXHBSA-N
Formula: C22H34N2O2
Molecular Weight: 358.518471
Exact Mass: 358.262028
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Wolf, D., Schmitz, F.J. J Nat Prod (1998) 61, 1524-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Bifloranes; 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) | 24.3 |
| 2 (CH2) | 32.8 |
| 3 (C) | 70.1 |
| 4 (CH) | 63.2 |
| 5 (CH) | 38 |
| 6 (CH) | 47.6 |
| 7 (CH2) | 31.3 |
| 8 (CH2) | 38.3 |
| 9 (C) | 151.3 |
| 10 (CH) | 42.1 |
| 11 (C) | 87.7 |
| 12 (CH2) | 36 |
| 13 (CH2) | 25 |
| 14 (CH) | 83 |
| 15 (C) | 60 |
| 16 (CH3) | 23.3 |
| 17 (CH3) | 28.7 |
| 18 (CH2) | 105.7 |
| 19 (CH3) | 17.5 |
| 20 (CH3) | 26.1 |
| 4a (C) | 160.4 |
| 15a (C) | 157.9 |
