Spektraris NMR
Hippospongin E
Common Name: Hippospongin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H30N2O4/c1-18(4-2-6-21-14-23(30-17-21)24(27)26-10-9-25)12-22-13-20(16-29-22)7-3-5-19-8-11-28-15-19/h8,11-17H,2-7,9-10,25H2,1H3,(H,26,27)/b18-12+
InChIKey: InChIKey=FRTYGMXWUOZBJW-LDADJPATSA-N
Formula: C24H30N2O4
Molecular Weight: 410.50699
Exact Mass: 410.220557
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rochfort, S.J., Atkin, D., Hobbs, L., Capon, R.J. J Nat Prod (1996) 59, 1024-8
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Acyclics; 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) | 142.7 |
| 2 (CH) | 110.9 |
| 3 (C) | 124.6 |
| 4 (CH) | 138.8 |
| 5 (CH2) | 24.3 |
| 6 (CH2) | 30.1 |
| 7 (CH2) | 24.1 |
| 8 (C) | 126.1 |
| 9 (CH) | 137 |
| 10 (CH) | 109 |
| 11 (C) | 153.4 |
| 12 (CH) | 114.6 |
| 13 (C) | 137.3 |
| 14 (CH3) | 18.3 |
| 15 (CH2) | 39.9 |
| 16 (CH2) | 27.8 |
| 17 (CH2) | 23.9 |
| 18 (C) | 126.1 |
| 19 (CH) | 140.6 |
| 20 (CH) | 115.6 |
| 21 (C) | 147.5 |
| 22 (C) | 159.5 |
| 22a (CH2) | 42 |
| 22b (CH2) | 62.1 |
