(3beta,5beta,11alpha)-3,11,14-Trihydroxy-12-oxobufa-20,22-dienolide | CAS No. 464-74-4

(3beta,5beta,11alpha)-3,11,14-Trihydroxy-12-oxobufa-20,22-dienolide

Basic Information

CAS Number

464-74-4

Molecular Formula

C24H32O6

Molecular Weight

416.51 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

222-228 ºC

Solubility

Methanol; Acetontrile; DMSO

C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3C[C@@H](O)CC[C@]3(C)[C@H]1[C@H](O)C2=O)C1=COC(=O)C=C1

InChI

InChI=1S/C24H32O6/c1-22-9-7-15(25)11-14(22)4-5-17-19(22)20(27)21(28)23(2)16(8-10-24(17,23)29)13-3-6-18(26)30-12-13/h3,6,12,14-17,19-20,25,27,29H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,19-,20+,22+,23+,24+/m1/s1

InChIKey

JGDCRWYOMWSTFC-AZGSIFHYSA-N

LogP

2.3917

Topological Polar Surface Area

107.97 Ų

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

847

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

  • Bufa-20,22-dienolide,3,11,14-trihydroxy-12-oxo-, (3b,5b,11a)-
  • Arenobufagin
  • Bufarenogin
  • ARENOBUFAGIN (REFERENCE GRADE)
  • (3beta,5beta,11alpha)-3,11,14-Trihydroxy-12-oxobufa-20,22-dienolide
  • 5-[(3S,5R,8R,10S,11S,13R,14S,17R)-3,11,14-Trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,
  • Arenobufogenin
  • C20035
  • 5β-Bufa-20,22-dienolide, 3β,11α,14-trihydroxy-12-oxo- (6CI,7CI,8CI),(3β,5β,11α)-3,11,14-Trihydroxy-1...

MDL Number

MFCD01740820

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