Spektraris NMR
Sclerophytin F methyl ester
Common Name: Sclerophytin F methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O4/c1-12(2)14-8-7-13(3)17-15-11-21(5,23)16(24-6)9-10-20(4,22)19(25-15)18(14)17/h12,14-19,22-23H,3,7-11H2,1-2,4-6H3/t14-,15-,16+,17-,18-,19-,20-,21+/m1/s1
InChIKey: InChIKey=OEUGMHUKLQIMAL-FQOJGSFKSA-N
Formula: C21H36O4
Molecular Weight: 352.508941
Exact Mass: 352.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Friedrich, D., Paquette, L.A. J Nat Prod (2002) 65, 126-30
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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 (CH) | 44.6 |
| 2 (CH) | 90.5 |
| 3 (C) | 76.1 |
| 4 (CH2) | 41 |
| 5 (CH2) | 30 |
| 6 (CH) | 90.5 |
| 7 (C) | 74.9 |
| 8 (CH2) | 45.1 |
| 9 (CH) | 78.1 |
| 10 (CH) | 53 |
| 11 (C) | 147.9 |
| 12 (CH2) | 31.6 |
| 13 (CH2) | 24.9 |
| 14 (CH) | 43.7 |
| 15 (CH3) | 23.9 |
| 16 (CH3) | 25.9 |
| 17 (CH2) | 109.1 |
| 18 (CH) | 29 |
| 19 (CH3) | 15.9 |
| 20 (CH3) | 22 |
| 6a (CH3) | 57 |
