alpha-Acetyloxypropionyl-k-strophanthidin

[(3S,5S,10S,13R,14S)-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-acetyloxypropanoate

CAS: 63979-64-6

Molecular Formula	`C28H38O9`
Molecular Weight	518.6 g/mol
LogP	1.5
Topological Polar Surface Area	136.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	518.2516
Heavy Atoms	37
Complexity	1040.0

Chemical Identifiers

CAS Number	63979-64-6
SMILES	`CC(C(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=CC(=O)OC5)C)C=O)OC(=O)C`
InChIKey	`QBMMODUFPLCLPF-WEEXNRQCSA-N`

📖 Product Overview

alpha-Acetyloxypropionyl-k-strophanthidin (CAS: 63979-64-6) is a chemical compound with molecular formula C28H38O9 and molecular weight 518.6 g/mol. Its IUPAC systematic name is [(3S,5S,10S,13R,14S)-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-acetyloxypropanoate. LogP 1.5 Topological Polar Surface Area 136.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 9 Rotatable Bonds 7 Exact Mass 518.2516 Heavy Atoms 37 Complexity 1040.0 InChI Key: QBMMODUFPLCLPF-WEEXNRQCSA-N. SMILES: CC(C(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=CC(=O)OC5)C)C=O)OC(=O)C.

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