(3beta,5beta,15beta,16beta)-16-Acetoxy-3-hydroxy-14,15-epoxybufa-20,22-dienolide | CAS No. 470-37-1

(3beta,5beta,15beta,16beta)-16-Acetoxy-3-hydroxy-14,15-epoxybufa-20,22-dienolide

Basic Information

CAS Number

470-37-1

Molecular Formula

C26H34O6

Molecular Weight

426.55 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

213.0 to 217.0 deg-C

Boiling Point

595.4±50.0°C

Density

1.3±0.1 g/cm3

Flash Point

>230 °F

Solubility

Methanol; Acetontrile; DMSO

CC(=O)OC1C(C2(CCC3C(C24C1O4)CCC5C3(CCC(C5)O)C)C)C6=COC(=O)C=C6

InChI

InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18+,19-,21+,22-,23-,24+,25-,26-/m1/s1

InChIKey

SCULJPGYOQQXTK-OLRINKBESA-N

LogP

4.073400000000003

Topological Polar Surface Area

80.04 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

923

Safety Information

View Safety Information

Hazard Statement

Hazard Class

Class 6.1(a) Class 6.1(a)

Storage Conditions

-20℃

Synonyms & References

English

  • 36121-84-3
  • AKOS040753754
  • Cinobufagin
  • s3224
  • MFCD00056825
  • BUFA-20,22-DIENOLIDE, 16-(ACETYLOXY)-14,15-EPOXY-3-HYDROXY-, (3- .BETA.,5-.BETA.,15-.BETA.,16-.BETA.)-
  • NSC90325
  • NSC 90325
  • Cinobufagin (Cinobufagine)
  • HY-N0421
  • 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 16-acetate
  • [(1R,2S,4R,5R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate
  • 14,15beta-Epoxy-3beta,16beta-dihydroxy-5beta,20(22)-bufadienolide 16-acetate, 5beta,20(22)-Bufadienolide-3beta,16beta-diol-14,15beta-epoxy 16-acetate
  • SCHEMBL642990
  • SR-05000002305-2
  • Cinobufagine
  • C16931
  • 5.beta.-Bufa-20, 14,15.beta.-epoxy-3.beta.,16.beta.-dihydroxy-, 16-acetate
  • 14,15beta-Epoxy-3beta,16beta-dihydroxy-5beta,20(22)-bufadienolide 16-acetate
  • Bufa-20,22-dienolide, 16-(acetyloxy)-14,15-epoxy-3-hydroxy-, (3-beta,5-beta,15-beta,16-beta)-
  • C3460
  • T9PSN4R8IR
  • Q5121070
  • NSC-90325
  • Q-100496
  • Bufa-20, 16-(acetyloxy)-14,15-epoxy-3-hydroxy-, (3.beta.,5.beta.,15.beta.,16.beta.)-
  • DTXSID701026953
  • CCG-208337
  • CINOBUFAGIN [WHO-DD]
  • CHEBI:80805
  • AC-34292

MDL Number

MFCD00056825

Customs Code

3001200090

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