HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
[(1S,2S,5S,6R,7R,9S,10S,18R)-9-Acetyloxy-6-(acetyloxymethyl)-18-hydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-5-yl]methyl acetate
pyripyropene D · 2H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-11-one, 6-(acetyloxy)-4-[(acetyloxy)methyl]-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-4,6a,12b-trimethyl-3-[(1-oxopropoxy)methyl]-9-(3-pyridinyl)-, (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-
![Molekülstruktur von [(1S,2S,5S,6R,7R,9S,10S,18R)-9-Acetyloxy-6-(acetyloxymethyl)-18-hydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-5-yl]methyl acetate](/img/chemical/192541.png)
Identifikatoren & physikalische Daten
| CAS No. | 151519-46-9 |
|---|---|
| Summenformel | C32H39NO10 |
| Durchschnittliche Molmasse | 597,7 g/mol |
| Monoisotopische Masse | 597,25739644 g/mol |
| SMILES | CC(=O)OC[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@H]23)[C@@]1(C)COC(C)=O |
| InChIKey | NYQIGAQKWWREPH-MQMUQTNESA-N |
| PubChem CID | 192541 |
| DTXSID | DTXSID60934276 |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 148 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 11 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 43 |
| Formalladung | 0 |
| Komplexität | 1.240 |