Spektraris NMR
Leoheterin
Common Name: Leoheterin
Synonyms: Leoheterin
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-13-15(21)16(22)17-18(2,3)8-5-9-19(17,4)20(13,23)10-6-14-7-11-24-12-14/h7,11-13,15,17,21,23H,5-6,8-10H2,1-4H3/t13-,15-,17+,19+,20-/m1/s1
InChIKey: InChIKey=PVHCSUICRAIGCK-YJLWDSPXSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rustaiyan, A., Mossleminkupaii, M.H., Papastergiou, F., Jakupovic, J. Phytochemistry (1995) 40, 875-9
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) | 31.6 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 42 |
| 4 (C) | 32.2 |
| 5 (CH) | 55.9 |
| 6 (C) | 212 |
| 7 (CH) | 77.1 |
| 8 (CH) | 47.6 |
| 9 (C) | 77.2 |
| 10 (C) | 49 |
| 11 (CH2) | 34.2 |
| 12 (CH2) | 21.2 |
| 13 (C) | 124.7 |
| 14 (CH) | 110.6 |
| 15 (CH) | 143.2 |
| 16 (CH) | 138.6 |
| 17 (CH3) | 12.4 |
| 18 (CH3) | 32.6 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 18 |
