Spektraris NMR
Litophynin E
Common Name: Litophynin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H40O5/c1-7-8-19(26)29-24(6)12-11-18(25)23(5,27)13-17-20-15(4)9-10-16(14(2)3)21(20)22(24)28-17/h14,16-18,20-22,25,27H,4,7-13H2,1-3,5-6H3/t16-,17-,18+,20-,21-,22-,23-,24-/m1/s1
InChIKey: InChIKey=BINCEVTZTUULDQ-LWIHEMABSA-N
Formula: C24H40O5
Molecular Weight: 408.572316
Exact Mass: 408.287574
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) | 45.5 |
| 2 (CH) | 92.1 |
| 3 (C) | 86.5 |
| 4 (CH2) | 36.2 |
| 5 (CH2) | 30.5 |
| 6 (CH) | 80.2 |
| 7 (C) | 76.9 |
| 8 (CH2) | 45.9 |
| 9 (CH) | 78.3 |
| 10 (CH) | 53.7 |
| 11 (C) | 147.6 |
| 12 (CH2) | 31.5 |
| 13 (CH2) | 24.6 |
| 14 (CH) | 44 |
| 15 (CH3) | 23.2 |
| 16 (CH3) | 22.7 |
| 17 (CH2) | 109.4 |
| 18 (CH) | 29.1 |
| 19 (CH3) | 15.7 |
| 20 (CH3) | 22 |
| 3a (C) | 172.3 |
| 3b (CH2) | 37.4 |
| 3c (CH2) | 18.4 |
| 3d (CH3) | 13.7 |
