HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 4591Erstellt: 29. Oktober 2026
(1S,4E,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione
https://huagongshe.com/de/chemical/4591
Identifikatoren & physikalische Daten
| Summenformel | C45H74O11 |
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| Durchschnittliche Molmasse | 791,1 g/mol |
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| Monoisotopische Masse | 790,52311317 g/mol |
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| SMILES | CCC1C=CC=CCC(C)C(O)C(C)(O)C(=O)C(C)C(O)C(C)C(=O)C(C)C(O)C(C)C=CC(=O)OC2C(C)C(CC1)OC1(CCC(C)C(CC(C)O)O1)C2C |
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| InChIKey | MNULEGDCPYONBU-UHFFFAOYSA-N |
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| PubChem CID | 4591 |
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| DTXSID | DTXSID90859640 |
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Chemische & physikalische Eigenschaften
| XLogP | 7,1 |
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| Polarare Oberfläche (TPSA) | 180 |
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| H-Brücken-Donoren | 5 |
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| H-Brücken-Akzeptoren | 11 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 56 |
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| Formalladung | 0 |
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| Komplexität | 1.390 |
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![Molekülstruktur von (1S,4E,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione](/img/chemical/4591.png)