k-Strophanthidin, phenylacetyl-

[(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-phenylacetate

CAS: 63979-71-5

Molecular Formula	`C31H38O7`
Molecular Weight	522.6 g/mol
LogP	2.8
Topological Polar Surface Area	110.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	522.2618
Heavy Atoms	38
Complexity	1020.0

Chemical Identifiers

CAS Number	63979-71-5
SMILES	`CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OC(=O)CC6=CC=CC=C6)C=O)O`
InChIKey	`BKVJSUAKPCZFQK-IXMWINEVSA-N`

📖 Product Overview

k-Strophanthidin, phenylacetyl- (CAS: 63979-71-5) is a chemical compound with molecular formula C31H38O7 and molecular weight 522.6 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-phenylacetate. LogP 2.8 Topological Polar Surface Area 110.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 6 Exact Mass 522.2618 Heavy Atoms 38 Complexity 1020.0 InChI Key: BKVJSUAKPCZFQK-IXMWINEVSA-N. SMILES: CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OC(=O)CC6=CC=CC=C6)C=O)O.

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