(1S,6S,7R,8S,8aR)-6-Hydroxy-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate

3S)-Hydroxy Simvastatin · Simvastatin Impurity 23 · (6S)-Hydroxy Simvastatin · ZHTMJJNBYMYMRV-VVSCFXOTSA-N · 3-(S)-Hydroxy SiMvastatin-d3 · SiMvastatin (6S)-Hydroxy IsoMer · 3’(S)-Hydroxy Simvastatin DISCONTINUED · [(1S,6S,7R,8S,8aR)-6-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate

https://huagongshe.com/de/chemical/21728613

Molekülstruktur von (1S,6S,7R,8S,8aR)-6-Hydroxy-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate

Identifikatoren & physikalische Daten

CAS No.	133645-46-2
Summenformel	C25H38O6
Durchschnittliche Molmasse	434,573 g/mol
Monoisotopische Masse	434,26683894 g/mol
SMILES	CCC(C)(C)C(=O)O[C@H]1CC(C)=CC2=C[C@@H](O)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
InChIKey	ZHTMJJNBYMYMRV-VVSCFXOTSA-N
PubChem CID	21728613
DTXSID	DTXSID60617436

Chemische & physikalische Eigenschaften

Schmelzpunkt	55-60°C
Siedepunkt	606.443±55.00 °C(Press: 760.00 Torr)(predicted)
Dichte	1.163±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted)
Lagerbedingungen	Hygroscopic, Refrigerator, under inert atmosphere
Löslichkeit	Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	13.495±0.40(predicted)
Farbe	White to Pale Yellow

Sicherheit & Vorschriften

Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302