Compound C31H56Br2N2O4

2-acetyloxyethyl-[(3R,5S,8R,10S,13S,17R)-3-[2-acetyloxyethyl(dimethyl)azaniumyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-dimethylazanium dibromide

CAS: 50588-19-7

Molecular Formula	`C31H56Br2N2O4`
Molecular Weight	680.6 g/mol
Topological Polar Surface Area	52.6 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	10
Exact Mass	680.2586
Heavy Atoms	39
Complexity	856.0

Chemical Identifiers

CAS Number	50588-19-7
SMILES	`CC(=O)OCC[N+](C)(C)C1CCC2(C(C1)CCC3C2CCC4(C3CCC4[N+](C)(C)CCOC(=O)C)C)C.[Br-].[Br-]`
InChIKey	`OMPGSJGRWUKRAF-MKPSAHPLSA-L`

📖 Product Overview

Compound C31H56Br2N2O4 (CAS: 50588-19-7) is a chemical compound with molecular formula C31H56Br2N2O4 and molecular weight 680.6 g/mol. Its IUPAC systematic name is 2-acetyloxyethyl-[(3R,5S,8R,10S,13S,17R)-3-[2-acetyloxyethyl(dimethyl)azaniumyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-dimethylazanium dibromide. Topological Polar Surface Area 52.6 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 10 Exact Mass 680.2586 Heavy Atoms 39 Complexity 856.0 InChI Key: OMPGSJGRWUKRAF-MKPSAHPLSA-L. SMILES: CC(=O)OCC[N+](C)(C)C1CCC2(C(C1)CCC3C2CCC4(C3CCC4[N+](C)(C)CCOC(=O)C)C)C.[Br-].[Br-].

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