3,5,14,19-Tetrahydroxybufa-20,22-dienolide structure

3,5,14,19-Tetrahydroxybufa-20,22-dienolide

5-[3,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one

Also Known As: Hellebrigenol|3,5,14,19-Tetrahydroxybufa-20,22-dienolide|5-[3,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one|5-[3a,5a,7-trihydroxy-9a-(hydroxymethyl)-11a-methyl-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl]pyran-2-one

CAS: 508-79-2
Molecular Formula C24H34O6
Molecular Weight 418.23553 g/mol
LogP 2.3292
Topological Polar Surface Area 111.13 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
Rotatable Bonds 2
Exact Mass 418.23553
Monoisotopic Mass 418.23553
Heavy Atoms 30
Complexity 862.19714

Chemical Identifiers

CAS Number 508-79-2
SMILES CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC5(C3(CCC(C5)O)CO)O

Product Overview

3,5,14,19-Tetrahydroxybufa-20,22-dienolide (CAS 508-79-2), with molecular formula C24H34O6 and molecular weight 418.23553 g/mol. IUPAC: 5-[3,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one.

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3,5,14,19-Tetrahydroxybufa-20,22-dienolide is a custom synthesis product. We offer services from milligram to kilogram scale.

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