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Desacetylcinobufagin

Desacetylcinobufagin structure

CAS No:
4026-95-3
Formula:
C24H32O5
Chemical Name:
Desacetylcinobufagin
Synonyms:
Bufa-20,22-dienolide,14,15-epoxy-3,16-dihydroxy-,(3β,5β,15β,16β)-;5β-Bufa-20,22-dienolide,14,15β-epoxy-3β,16β-dihydroxy-;Cinobufagin,deacetyl-;(3β,5β,15β,16β)-14,15-Epoxy-3,16-dihydroxybufa-20,22-dienolide;Deacetylcinobufagin;Desacetylcinobufagin;NSC 234203
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Desacetylcinobufagin is a natural compound used for microbial transformation.

Desacetylcinobufagin Basic Attributes

Molecular Weight：

400.508

Exact Mass：

400.51

Characteristics

PSA：

83.20000

XLogP3：

2.00

Density：

1.3±0.1 g/cm3

Melting Point：

129-130 °C

Boiling Point：

601.9±55.0 °C at 760 mmHg

Flash Point：

208.1±25.0 °C

Refractive Index：

1.619

Computed Properties

Molecular Weight:400.5
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:400.22497412
Monoisotopic Mass:400.22497412
Topological Polar Surface Area:79.3
Heavy Atom Count:29
Complexity:818
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes