3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide

Name: 3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide
Brand: CoreyChem
SKU: CAS:4099-30-3
Price: Contact for pricing USD
Availability: InStock

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

Also Known As: Desacetylcinobufotalin, De-O-acetylcinobufotalin, 3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide, 5-beta-BUFA-20,22-DIENOLIDE, 14,15-beta-EPOXY-3-beta,5,16-beta-TRIHYDROXY-, Bufa-20,22-dienolide, 14,15-epoxy-3,5,16-trihydroxy-, (3-beta,5-beta,15-beta,16-beta)-, (8xi,9xi)-3beta,5,16beta-Trihydroxy-5beta,15beta-14,15-epoxybufa-20,22-dienolide, 5.beta.-Bufa-20,22-dienolide, 14,15.beta.-epoxy-3.beta.,5,16.beta.-trihydroxy-, 5-[(2S,4R,5R,6R,7R,11R,14S,16S)-5,14,16-trihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.0(2),?.0(2),?.0(1)(1),(1)?]octadecan-6-yl]pyran-2-one, 5-[(2S,4R,5R,6R,7R,11R,14S,16S)-5,14,16-trihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one, Bufa-20,22-dienolide, 14,15-epoxy-3,5,16-trihydroxy-, (3-beta,5-beta,15-beta,16-beta)- (9CI), Bufa-20,22-dienolide, 14,15-epoxy-3,5,16-trihydroxy-, (3.beta.,5.beta.,15.beta.,16.beta.)-

CAS: 4099-30-3

Molecular Formula	`C24H32O6`
Molecular Weight	416.21988 g/mol
LogP	2.34
Topological Polar Surface Area	103.43 Å²
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	1
Exact Mass	416.21988
Heavy Atoms	30
Complexity	923

Chemical Identifiers

CAS Number	4099-30-3
SMILES	`C[C@]12CCC3C([C@@]14[C@H](O4)[C@@H]([C@@H]2C5=COC(=O)C=C5)O)CC[C@]6([C@@]3(CC[C@@H](C6)O)C)O`

Product Overview

3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide (CAS 4099-30-3), with molecular formula C24H32O6 and molecular weight 416.21988 g/mol. IUPAC: 5-[(2S,4R,5R,6R,7R,11R,14S,16S)-5,14,16-trihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one.

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