HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
16,24-Cyclo-13,14-secoergosta-2,5-diene-18,26-dioic acid, 14,17:14,27-diepoxy-13,20,22-trihydroxy-1,15-dioxo-, gamma-lactone delta-lactone, (14alpha,16beta,22alpha,25S)-
NSC-287088 · physalin B · Physalin B, 10 mM in DMSO · (16S,25S)-14α,17α:14,27-Diepoxy-13,20,22α-trihydroxy-1,15-dioxo-16,24-cyclo-13,14-secoergosta-2,5-diene-18,26-dioic acid 18,20:26,22-dilactone · (16S,22R,25S)-14α,17α:14,27-Diepoxy-13,20,22-trihydroxy-1,15-dioxo-16,24-cyclo-13,14-secoergosta-2,5-diene-18,26-dioic acid 18,20:26,22-dilactone · 17,3-(Epoxymethano)-1,17:2,6-dimethano-17H-naphtho[1,2-f]furo[3,4-b:2,3-c']bisoxocin-4,8,11,21(1H,8aH,10bH)-tetrone, 2,3,6,6a,9,10,10a,14,16,16a-decahydro-8a-hydroxy-2,6a,10b-trimethyl-, (1S,2S,3S,6R,6aS,8aR,10aS,10bR,16aR,17R,18aR)-
Identifikatoren & physikalische Daten
| CAS No. | 23133-56-4 |
|---|---|
| Summenformel | C28H30O9 |
| Durchschnittliche Molmasse | 510,5 g/mol |
| Monoisotopische Masse | 510,18898253 g/mol |
| SMILES | C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@@]5(C)[C@@H]6C(=O)[C@]1(OC[C@H]5C(=O)O4)OC632 |
| InChIKey | HVTFEHJSUSPQBK-BLPYFLSOSA-N |
| PubChem CID | 5488849 |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 125 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 37 |
| Formalladung | 0 |
| Komplexität | 1.300 |
| Dichte | 1.51±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Store at -20°C |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 12.27±0.70(Predicted) |
| Farbe | Off-white to light yellow |