Spektraris NMR
13-epi-Preleoheterin
Common Name: 13-epi-Preleoheterin
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/h10-11,13-14,16,21H,5-9,12H2,1-4H3/t13-,14-,16+,18+,19+,20-/m1/s1
InChIKey: InChIKey=LRQKKQYUECPRMI-AUDZOWGFSA-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) | 32.3 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 42.4 |
| 4 (C) | 38.1 |
| 5 (CH) | 56.5 |
| 6 (C) | 212 |
| 7 (CH) | 77.7 |
| 8 (CH) | 46.6 |
| 9 (C) | 92.4 |
| 10 (C) | 48.4 |
| 11 (CH2) | 29.1 |
| 12 (CH2) | 38.1 |
| 13 (C) | 94.2 |
| 14 (CH) | 107.4 |
| 15 (CH) | 148.4 |
| 16 (CH2) | 81.1 |
| 17 (CH3) | 13.5 |
| 18 (CH3) | 32.3 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 19.9 |
