HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(3S,3aR,6S,6aR,7E,10S,12R,13E,15R,15aR)-15-(Acetyloxy)-2,3,3a,6,6a,9,10,11,12,15-decahydro-6,12-dihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-1H-cycloundec[d]isoindol-1-one
CYTOCHALASINN · (7S,13E,16S,18R,19E,21R)-21-Acetyloxy-7,18-dihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-5,13,19-trien-1-one · 1H-Cycloundec[d]isoindol-1-one, 15-(acetyloxy)-2,3,3a,6,6a,9,10,11,12,15-decahydro-6,12-dihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-, (3S,3aR,6S,6aR,7E,10S,12R,13E,15R,15aR)-
![Molekülstruktur von (3S,3aR,6S,6aR,7E,10S,12R,13E,15R,15aR)-15-(Acetyloxy)-2,3,3a,6,6a,9,10,11,12,15-decahydro-6,12-dihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-1H-cycloundec[d]isoindol-1-one](/img/chemical/165366147.png)
Identifikatoren & physikalische Daten
| CAS No. | 108050-28-8 |
|---|---|
| Summenformel | C30H39NO5 |
| Durchschnittliche Molmasse | 493,6 g/mol |
| Monoisotopische Masse | 493,28282334 g/mol |
| SMILES | CC(=O)O[C@@H]1/C=C/[C@](C)(O)CC(C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 |
| InChIKey | WFSYATBEJTUDQA-KFUSXPDPSA-N |
| PubChem CID | 165366147 |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 95,9 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 36 |
| Formalladung | 0 |
| Komplexität | 947 |