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Methyl 5a,5b,7a,10,13b-pentamethyl-13-oxo-3-(propan-2-yl)-2,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysene-10-carboxylate
(18α)-11-Oxo-A-neooleana-3(5),12-dien-30-oic acid methyl ester · A-Neo-18α-oleana-3(5),12-dien-30-oic acid, 11-oxo-, methyl ester (7CI,8CI)
![Molekülstruktur von Methyl 5a,5b,7a,10,13b-pentamethyl-13-oxo-3-(propan-2-yl)-2,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysene-10-carboxylate](/img/chemical/200052.png)
Identifikatoren & physikalische Daten
| CAS No. | 5573-15-9 |
|---|---|
| Summenformel | C31H46O3 |
| Durchschnittliche Molmasse | 466,706 g/mol |
| Monoisotopische Masse | 466,34469533 g/mol |
| SMILES | COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(C(C)C)=C5CC[C@]43C)[C@H]2C1 |
| InChIKey | KLDHTSBPVUVXQQ-SBSPXKCJSA-N |
| PubChem CID | 200052 |
| DTXSID | DTXSID80971108 |
Chemische & physikalische Eigenschaften
| Siedepunkt | 537.6±50.0 °C(Predicted) |
|---|---|
| Dichte | 1.08±0.1 g/cm3(Predicted) |