Spektraris NMR
Hippospongin A
Common Name: Hippospongin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H32O5/c1-18(5-3-7-21-14-24(30-17-21)12-19(2)25(26)27)11-23-13-22(16-29-23)8-4-6-20-9-10-28-15-20/h9-10,13-19H,3-8,11-12H2,1-2H3,(H,26,27)
InChIKey: InChIKey=XBNXDSNAWAAPPE-UHFFFAOYSA-N
Formula: C25H32O5
Molecular Weight: 412.519526
Exact Mass: 412.224974
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) | 111 |
| 3 (C) | 124.8 |
| 4 (CH) | 138.8 |
| 5 (CH2) | 24.5 |
| 6 (CH2) | 30.1 |
| 7 (CH2) | 24.3 |
| 8 (C) | 125.3 |
| 9 (CH) | 136.9 |
| 10 (CH) | 107.4 |
| 11 (C) | 155.5 |
| 12 (CH2) | 35.6 |
| 13 (CH) | 32.4 |
| 14 (CH3) | 19.6 |
| 15 (CH2) | 36.2 |
| 16 (CH2) | 27.3 |
| 17 (CH2) | 25.1 |
| 18 (C) | 125.9 |
| 19 (CH) | 137.5 |
| 20 (CH) | 108.2 |
| 21 (C) | 152.9 |
| 22 (CH2) | 31.7 |
| 23 (CH) | 38.6 |
| 24 (CH3) | 16.4 |
| 25 (C) | 181.4 |
