3-(Acetyloxy)-5,14,19-trihydroxybufa-20,22-dienolide

Name: 3-(Acetyloxy)-5,14,19-trihydroxybufa-20,22-dienolide
Brand: CoreyChem
SKU: CAS:100991-83-1
Price: Contact for pricing USD
Availability: InStock

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

Also Known As: AC1L1OCQ|Hellebrigenol-3-monoacetate|Hellebrigeninmonoacetat [German]|BRN 0062469|3-(Acetyloxy)-5,14,19-trihydroxybufa-20,22-dienolide|3-beta,5,14,19-Tetrahydroxy-5-beta-bufa-20,22-dienolide 3-acetate|(8xi,9xi)-3beta-(Acetyloxy)-5,14,19-trihydroxy-5beta-bufa-20,22-dienolide|5-beta-BUFA-20,22-DIENOLIDE, 3-beta,5,14,19-TETRAHYDROXY-, 3-ACETATE|[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

CAS: 100991-83-1

Molecular Formula	`C26H36O7`
Molecular Weight	460.2461 g/mol
LogP	2.9
Topological Polar Surface Area	117.2 Å²
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	460.2461
Heavy Atoms	33
Complexity	968.6

Chemical Identifiers

CAS Number	100991-83-1
SMILES	`CC(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4([C@H](CC[C@@]4(C3CC[C@@]2(C1)O)O)C5=COC(=O)C=C5)C)CO`

Product Overview

3-(Acetyloxy)-5,14,19-trihydroxybufa-20,22-dienolide (CAS 100991-83-1), with molecular formula C26H36O7 and molecular weight 460.2461 g/mol. IUPAC: [(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.

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