Strophanthidin 3-bromoacetate

[(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-bromoacetate

CAS: 4956-18-7

Molecular Formula	`C25H33BrO7`
Molecular Weight	525.4 g/mol
LogP	2.0
Topological Polar Surface Area	110.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	524.141
Heavy Atoms	33
Complexity	903.0

Chemical Identifiers

CAS Number	4956-18-7
SMILES	`CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OC(=O)CBr)C=O)O`
InChIKey	`HQEHABLFHCPQHP-IFZLVPIESA-N`

📖 Product Overview

Strophanthidin 3-bromoacetate (CAS: 4956-18-7) is a chemical compound with molecular formula C25H33BrO7 and molecular weight 525.4 g/mol. Its IUPAC systematic name is [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-bromoacetate. LogP 2.0 Topological Polar Surface Area 110.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 5 Exact Mass 524.141 Heavy Atoms 33 Complexity 903.0 InChI Key: HQEHABLFHCPQHP-IFZLVPIESA-N. SMILES: CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OC(=O)CBr)C=O)O.

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