Spektraris NMR
Kalihinol L
Common Name: Kalihinol L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32N2O2S/c1-14-7-8-16(22(5)12-10-17(26-22)20(2,3)23-6)18-15(14)9-11-21(4,25)19(18)24-13-27/h15-19,25H,1,7-12H2,2-5H3/t15-,16+,17+,18+,19-,21-,22-/m1/s1
InChIKey: InChIKey=BXMRJMKBQXYFMX-YHTKHXHBSA-N
Formula: C22H33N2O2S1
Molecular Weight: 389.576615
Exact Mass: 389.226274
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) | 33.2 |
| 3 (C) | 71 |
| 4 (CH) | 65.7 |
| 5 (CH) | 38.6 |
| 6 (CH) | 48 |
| 7 (CH2) | 31.3 |
| 8 (CH2) | 38.2 |
| 9 (C) | 151.3 |
| 10 (CH) | 43.8 |
| 11 (C) | 87.6 |
| 12 (CH2) | 36.1 |
| 13 (CH2) | 24.9 |
| 14 (CH) | 82.9 |
| 15 (C) | 59.7 |
| 16 (CH3) | 23.6 |
| 17 (CH3) | 28.7 |
| 18 (CH2) | 105.6 |
| 19 (CH3) | 17.5 |
| 20 (CH3) | 26 |
| 4a (C) | 130.5 |
| 15a (C) | 158 |
