Cinobufotalin

Name: Cinobufotalin
Brand: CoreyChem
SKU: CAS:1108-68-5
Price: Contact for pricing USD
Availability: InStock

[(2S,4R,5R,6R,7R,11R,14S,16S)-14,16-dihydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate

Also Known As: Cinobufotalin, CINOBUFOTLIN, [(2S,4R,5R,6R,7R,11R,14S,16S)-14,16-Dihydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate, 14,15-beta-epoxy-3-beta,5,16-beta-trihydroxy-5-beta-bufa-20,22-dienolide 16-acetate, (3-beta,5-beta,15-beta,16-beta)-16-(Acetyloxy)-14,15-epoxy-3,5-dihydroxybufa-20,22-dienolide, 5.beta.-Bufa-20,22-dienolide, 14,15.beta.-epoxy-3.beta.,5,16.beta.-trihydroxy-, 16-acetate, Bufa-20,22-dienolide, 16-(acetyloxy)-14,15-epoxy-3,5-dihydroxy-,(3.beta.,5.beta.,15.beta.,16.beta.)-

CAS: 1108-68-5

Molecular Formula	`C26H34O7`
Molecular Weight	458.23044 g/mol
LogP	2.91
Topological Polar Surface Area	109.5 Å²
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	2
Exact Mass	458.23044
Heavy Atoms	33
Complexity	1030

Chemical Identifiers

CAS Number	1108-68-5
SMILES	`CC(=O)O[C@@H]1[C@@H]([C@]2(CCC3C([C@@]24[C@@H]1O4)CC[C@]5([C@@]3(CC[C@@H](C5)O)C)O)C)C6=COC(=O)C=C6`

Product Overview

Cinobufotalin (CAS 1108-68-5), with molecular formula C26H34O7 and molecular weight 458.23044 g/mol. IUPAC: [(2S,4R,5R,6R,7R,11R,14S,16S)-14,16-dihydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate.

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