Spektraris NMR
Leoheteronone B
Common Name: Leoheteronone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-13-14(21)10-15-17(2,3)6-5-7-18(15,4)20(13)9-8-19(24-20)11-16(22)23-12-19/h13,15-16,22H,5-12H2,1-4H3/t13-,15+,16-,18+,19?,20-/m1/s1
InChIKey: InChIKey=GJCMFIRSMWNKEA-FFHQIRHLSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
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) | 32.5 |
| 2 (CH2) | 17.6 |
| 3 (CH2) | 41.5 |
| 4 (C) | 33.5 |
| 5 (CH) | 50.3 |
| 6 (CH2) | 35 |
| 7 (C) | 210.9 |
| 8 (CH) | 46.7 |
| 9 (C) | 97.7 |
| 10 (C) | 42.6 |
| 11 (CH2) | 29.8 |
| 12 (CH2) | 38.9 |
| 13 (C) | 90.7 |
| 14 (CH2) | 47.4 |
| 15 (CH) | 98.8 |
| 16 (CH2) | 78 |
| 17 (CH3) | 9 |
| 18 (CH3) | 32.9 |
| 19 (CH3) | 21.1 |
| 20 (CH3) | 18.5 |
