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4-{[4-({7-[(4-Carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-4,4a-dihydroxy-6-methoxy-3,4,5,8,9a-pentamethyl-1-oxo-4,4a,9,9a-tetrahydro-1H-xanthene-2-carbonyl}oxy)-2-methoxy-3,5,6-trimethylbenzoyl]oxy}-2-methoxy-3,5,6-trimethylbenzoic acid
thielocin A1beta
![Molekülstruktur von 4-{[4-({7-[(4-Carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-4,4a-dihydroxy-6-methoxy-3,4,5,8,9a-pentamethyl-1-oxo-4,4a,9,9a-tetrahydro-1H-xanthene-2-carbonyl}oxy)-2-methoxy-3,5,6-trimethylbenzoyl]oxy}-2-methoxy-3,5,6-trimethylbenzoic acid](/img/chemical/160013.png)
Identifikatoren & physikalische Daten
| CAS No. | 134892-23-2 |
|---|---|
| Summenformel | C54H60O18 |
| Durchschnittliche Molmasse | 997,056 g/mol |
| Monoisotopische Masse | 996,37796508 g/mol |
| SMILES | COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)C3=C(C)C(C)(O)C4(O)Oc5c(C)c(OC)c(C(=O)Oc6c(C)c(C)c(C(=O)O)c(OC)c6C)c(C)c5CC4(C)C3=O)c(C)c2OC)c(C)c(C)c1C(=O)O |
| InChIKey | DEUPNPRGHXXEHM-UHFFFAOYSA-N |
| PubChem CID | 160013 |
| DTXSID | DTXSID70928808 |