(3beta,5beta,11alpha)-3,11,14-Trihydroxybufa-20,22-dienolide | CAS No. 465-11-2

(3beta,5beta,11alpha)-3,11,14-Trihydroxybufa-20,22-dienolide

Basic Information

CAS Number

465-11-2

Molecular Formula

C24H34O5

Molecular Weight

402.53 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

254°

Solubility

Methanol; Chloroform

Specific Rotation

D18 +1.26° (c = 0.793 in methanol)

CC12CCC(CC1CCC3C2C(CC4(C3(CCC4C5=COC(=O)C=C5)O)C)O)O

InChI

InChI=1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-21(22)19(26)12-23(2)17(8-10-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,13,15-19,21,25-26,28H,4-5,7-12H2,1-2H3/t15-,16+,17-,18-,19-,21-,22+,23-,24+/m1/s1

InChIKey

FMTLOAVOGWSPEF-KJRPADTMSA-N

LogP

3.2127000000000017

Topological Polar Surface Area

90.9 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

773

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

  • Gamabufogenin
  • Gamabufotalin
  • Bufa-20, 3,11,14-trihydroxy-, (3.beta.,5.beta.,11.alpha.)-
  • 5.beta.-Bufa-20, 3.beta.,11.alpha.,14-trihydroxy-
  • CHEBI:80826
  • A827057
  • GAMABUFOTALIN [MI]
  • Q-100490
  • NSC-90384
  • (3.BETA.,5.BETA.,11.ALPHA.)-3,11,14-TRIHYDROXYBUFA-20,22-DIENOLIDE
  • 5-beta-BUFA-20,22-DIENOLIDE, 3-beta,11-alpha,14-TRIHYDROXY-
  • CHEMBL465318
  • MFCD01740822
  • 3-beta,11-alpha,14-Trihydroxy-5-beta-bufa-20,22-dienolide
  • HY-N0883
  • CS-3701
  • AS-77298
  • AC-34676
  • SCHEMBL866038
  • Q27149869
  • NCGC00485918-01
  • 5beta-Bufa-20,22-dienolide, 3beta,11alpha,14-trihydroxy-
  • Gammabufotalin
  • AKOS030526148
  • UNII-5HH3KM165O
  • 5HH3KM165O
  • C16962
  • 465-11-2
  • Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3-beta,5-beta,11-alpha)-
  • Gamabufalin
  • NSC 90384

MDL Number

MFCD01740822

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