Spektraris NMR
Sclerophytin E
Common Name: Sclerophytin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O5/c1-12(2)15-8-7-13(3)18-16-11-21(5,25)17(24)9-10-22(6,27-14(4)23)20(26-16)19(15)18/h12,15-20,24-25H,3,7-11H2,1-2,4-6H3/t15-,16-,17+,18-,19-,20-,21+,22-/m1/s1
InChIKey: InChIKey=MISONEVIRFNWCQ-UTEQDJHMSA-N
Formula: C22H36O5
Molecular Weight: 380.519082
Exact Mass: 380.256274
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) | 45.2 |
| 2 (CH) | 92 |
| 3 (C) | 86.3 |
| 4 (CH2) | 36.1 |
| 5 (CH2) | 30.4 |
| 6 (CH) | 80.1 |
| 7 (C) | 77 |
| 8 (CH2) | 45.7 |
| 9 (CH) | 78.2 |
| 10 (CH) | 52.9 |
| 11 (C) | 147.6 |
| 12 (CH2) | 31.4 |
| 13 (CH2) | 24.8 |
| 14 (CH) | 43.9 |
| 15 (CH3) | 23.2 |
| 16 (CH3) | 22.6 |
| 17 (CH2) | 109.3 |
| 18 (CH) | 29 |
| 19 (CH3) | 16.1 |
| 20 (CH3) | 21.9 |
| 3a (C) | 170.1 |
| 3b (CH3) | 22.7 |
