i-Valeryl-k-strophanthidin

[(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] 3-methylbutanoate

CAS: 63979-73-7

Molecular Formula	`C28H40O7`
Molecular Weight	488.6 g/mol
LogP	2.5
Topological Polar Surface Area	110.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	488.2774
Heavy Atoms	35
Complexity	942.0

Chemical Identifiers

CAS Number	63979-73-7
SMILES	`CC(C)CC(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=CC(=O)OC5)C)C=O`
InChIKey	`WPPFRCIRFVQANO-PNQBCYOKSA-N`

📖 Product Overview

i-Valeryl-k-strophanthidin (CAS: 63979-73-7) is a chemical compound with molecular formula C28H40O7 and molecular weight 488.6 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] 3-methylbutanoate. LogP 2.5 Topological Polar Surface Area 110.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 6 Exact Mass 488.2774 Heavy Atoms 35 Complexity 942.0 InChI Key: WPPFRCIRFVQANO-PNQBCYOKSA-N. SMILES: CC(C)CC(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=CC(=O)OC5)C)C=O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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