Spektraris NMR
Isopreleoheterin
Common Name: Isopreleoheterin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-13-14(21)15(22)16-17(2,3)6-5-7-18(16,4)20(13)9-8-19(24-20)10-11-23-12-19/h10-11,13,15-16,22H,5-9,12H2,1-4H3/t13-,15-,16+,18+,19-,20-/m1/s1
InChIKey: InChIKey=STNANKNBZWRXAJ-BPVGNJIUSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Romero-Gonzalez, R.R., Avila-Nunez, J.L., Aubert, L., Alonso-Amelot, M.E. Phytochemistry (2006) 67, 965-70
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) | 34.2 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 43.7 |
| 4 (C) | 35 |
| 5 (CH) | 50.2 |
| 6 (CH) | 76.1 |
| 7 (C) | 210 |
| 8 (CH) | 45.7 |
| 9 (C) | 96.7 |
| 10 (C) | 42.8 |
| 11 (CH2) | 30.2 |
| 12 (CH2) | 37.7 |
| 13 (C) | 93.5 |
| 14 (CH) | 107.1 |
| 15 (CH) | 148 |
| 16 (CH2) | 80.7 |
| 17 (CH3) | 9.3 |
| 18 (CH3) | 32.6 |
| 19 (CH3) | 24.6 |
| 20 (CH3) | 19.7 |
