Spektraris NMR
Leoheteronone E
Common Name: Leoheteronone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O6/c1-14(23)27-20(5)16(24)11-15-18(2,3)7-6-8-19(15,4)22(20)10-9-21(28-22)12-17(25)26-13-21/h15,17,25H,6-13H2,1-5H3/t15-,17+,19-,20-,21-,22-/m0/s1
InChIKey: InChIKey=PYWYXDQVIHVOOS-VLIPQZQPSA-N
Formula: C22H34O6
Molecular Weight: 394.502605
Exact Mass: 394.235539
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) | 33.5 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 41.8 |
| 4 (C) | 35 |
| 5 (CH) | 50.8 |
| 6 (CH2) | 36.5 |
| 7 (C) | 206.5 |
| 8 (C) | 88.2 |
| 9 (C) | 98.2 |
| 10 (C) | 44.1 |
| 11 (CH2) | 29.1 |
| 12 (CH2) | 39.8 |
| 13 (C) | 91.1 |
| 14 (CH2) | 47.3 |
| 15 (CH) | 98.7 |
| 16 (CH2) | 78.5 |
| 17 (CH3) | 16.4 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 22 |
| 20 (CH3) | 18.6 |
| 8a (C) | 171 |
| 8b (CH3) | 21.9 |
