Spektraris NMR
Hippospongin C
Common Name: Hippospongin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H34N2O4/c1-20(13-25-15-24(18-32-25)8-4-6-22-9-12-31-17-22)5-3-7-23-16-26(33-19-23)14-21(2)27(30)29-11-10-28/h9,12-19H,3-8,10-11,28H2,1-2H3,(H,29,30)/b20-13+,21-14+
InChIKey: InChIKey=COTCIDNXHCMPCG-KVVJQUGZSA-N
Formula: C27H34N2O4
Molecular Weight: 450.570961
Exact Mass: 450.251858
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) | 142.6 |
| 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) | 136.9 |
| 10 (CH) | 109 |
| 11 (C) | 153.5 |
| 12 (CH) | 114.5 |
| 13 (C) | 137.6 |
| 14 (CH3) | 18.4 |
| 15 (CH2) | 40 |
| 16 (CH2) | 27.9 |
| 17 (CH2) | 24 |
| 18 (C) | 127.1 |
| 19 (CH) | 140 |
| 20 (CH) | 115.4 |
| 21 (C) | 151.8 |
| 22 (CH) | 122.4 |
| 23 (C) | 126.9 |
| 24 (CH3) | 14.2 |
| 25 (C) | 170.3 |
| 25a (CH2) | 42.8 |
| 25b (CH2) | 62.1 |
