Spektraris NMR
Leoheteronone A
Common Name: Leoheteronone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H36O6/c1-15(24)28-21(5)17(25)12-16-19(2,3)8-7-9-20(16,4)23(21)11-10-22(29-23)13-18(26-6)27-14-22/h16,18H,7-14H2,1-6H3/t16-,18-,20-,21-,22?,23-/m0/s1
InChIKey: InChIKey=GDSNRTJTRDXNIY-NHGDWJLLSA-N
Formula: C23H36O6
Molecular Weight: 408.529222
Exact Mass: 408.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Giang, P.M., Son, P.T., Matsunami, K., Otsuka, H. Chem Pharm Bull (2005) 53, 1475-9
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) | 33.2 |
| 2 (CH2) | 17.9 |
| 3 (CH2) | 41.1 |
| 4 (C) | 34.2 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 36 |
| 7 (C) | 205.5 |
| 8 (C) | 87.6 |
| 9 (C) | 96.6 |
| 10 (C) | 43.6 |
| 11 (CH2) | 28.2 |
| 12 (CH2) | 39.8 |
| 13 (C) | 90.8 |
| 14 (CH2) | 46.8 |
| 15 (CH) | 104.2 |
| 16 (CH2) | 74.4 |
| 17 (CH3) | 15.4 |
| 18 (CH3) | 32.7 |
| 19 (CH3) | 21.4 |
| 20 (CH3) | 18 |
| 8a (C) | 168.9 |
| 8b (CH3) | 21.3 |
| 15a (CH3) | 55 |
