Spektraris NMR
Litophynin E acetate
Common Name: Litophynin E acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O6/c1-8-9-21(28)32-26(7)13-12-20(30-17(5)27)25(6,29)14-19-22-16(4)10-11-18(15(2)3)23(22)24(26)31-19/h15,18-20,22-24,29H,4,8-14H2,1-3,5-7H3/t18-,19-,20+,22-,23-,24-,25-,26-/m1/s1
InChIKey: InChIKey=GWHOSGMUWQAPFK-IHYSRGEESA-N
Formula: C26H42O6
Molecular Weight: 450.609075
Exact Mass: 450.298139
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) | 45.9 |
| 2 (CH) | 92.3 |
| 3 (C) | 86.6 |
| 4 (CH2) | 36 |
| 5 (CH2) | 29.3 |
| 6 (CH) | 84.9 |
| 7 (C) | 75.7 |
| 8 (CH2) | 46.1 |
| 9 (CH) | 78.2 |
| 10 (CH) | 53.9 |
| 11 (C) | 147.7 |
| 12 (CH2) | 31.6 |
| 13 (CH2) | 24.8 |
| 14 (CH) | 44 |
| 15 (CH3) | 23.1 |
| 16 (CH3) | 23.8 |
| 17 (CH2) | 109.4 |
| 18 (CH) | 29.1 |
| 19 (CH3) | 15.5 |
| 20 (CH3) | 21.9 |
| 3a (C) | 172.3 |
| 3b (CH2) | 37.5 |
| 3c (CH2) | 18.5 |
| 3d (CH3) | 13.7 |
| 6a (C) | 171.8 |
| 6b (CH3) | 21.4 |
