17,21-Dihydroxypregn-4-en-3,20-dion-17,21-di(acetat)

Centhaquin Impurity 43 · 17,21-Diacetoxypregna-4-ene-3,20-dione · 17,21-Bis(acetyloxy)pregn-4-ene-3,20-dione · Pregn-4-ene-3,20-dione, 17,21-bis(acetyloxy)- · 17,21-dihydroxypregn-4-ene-3,20-dione 17,21-di(acetate) · 2-((8R,9S,10R,13S,14S,17R)-17-acetoxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate

https://huagongshe.com/de/chemical/102165

Molekülstruktur von 17,21-Dihydroxypregn-4-en-3,20-dion-17,21-di(acetat)

Identifikatoren & physikalische Daten

CAS No.	1807-15-4
Summenformel	C25H34O6
Durchschnittliche Molmasse	430,5 g/mol
Monoisotopische Masse	430,23553881 g/mol
SMILES	CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChIKey	IASNEQDWRXBECK-IHKKISOYSA-N
PubChem CID	102165
EC No.	217-307-2
DTXSID	DTXSID101267698
Lokaler Name	17,21-Dihydroxypregn-4-en-3,20-dion-17,21-di(acetat)

Chemische & physikalische Eigenschaften

XLogP	3,1
Polarare Oberfläche (TPSA)	86,7
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	6
Schwere Atome	31
Formalladung	0
Komplexität	858
Endocrine Disruptors	Potential endocrine disrupting compound
Schmelzpunkt	220-222 °C(Solv: methanol (67-56-1))
Siedepunkt	543.8±50.0 °C(Predicted)
Dichte	1.19±0.1 g/cm3(Predicted)