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Desacetylcinobufotalin

CAT: 0013-GTR19260417-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260417-01Size:25 mg
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Description
Desacetylcinobufotalin has significant antitumor activity through induction apoptosis via mitochondria pathway, it also shows potent cytotoxic activities against HL-60 cell lines.
CAS Number
4099-30-3
Purity
>98% (HPLC)
Solubility
DMSO : 100 mg/mL (240.09 mM; ultraphonic; )
Molecular Formula
C24H32O6
Molecular Weight
416.51
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Desacetylcinobufotalin

De-O-acetylcinobufotalin has been reported in Bufo gargarizans and Bufo bufo with data available.

CAS Number4099-30-3
PubChem CID15513544
IUPAC Name5-[(1R,2S,4R,5R,6R,7R,10S,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
Molecular FormulaC24H32O6
Molecular Weight416.5
XLogP1.5
Topological Polar Surface Area99.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count30
Formal Charge0
Complexity866
SMILES
C[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)[C@@H]([C@@H]4C6=COC(=O)C=C6)O)C)O)O
InChI
InChI=1S/C24H32O6/c1-21-8-5-14(25)11-23(21,28)10-7-16-15(21)6-9-22(2)18(13-3-4-17(26)29-12-13)19(27)20-24(16,22)30-20/h3-4,12,14-16,18-20,25,27-28H,5-11H2,1-2H3/t14-,15-,16+,18-,19+,20+,21+,22+,23-,24+/m0/s1
InChIKey
FRYICJTUIXEEGK-NNWVIVGYSA-N
Chemical Structure
2D Structure
2D structure of Desacetylcinobufotalin
CAS: 4099-30-3
CID: 15513544
Formula: C24H32O6
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass416.21988874
Monoisotopic Mass416.21988874
Topological Polar Surface Area99.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity866
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA3113-5Desacetylcinobufotalin

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