Desacetylbufotalin

CAS Registry Number®

465-19-0
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CAS Name

Desacetylbufotalin

Molecular Formula

C24H34O5

Molecular Mass

402.52

Cite this Page

Desacetylbufotalin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=465-19-0 (retrieved 2024-05-18) (CAS RN: 465-19-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    130 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)21(19(26)12-24(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

InChIKey=MWFCMSURKYLINK-QDLCSJEJSA-N

SMILES

O[C@@]12[C@@](C)([C@H]([C@@H](O)C1)C=3C=CC(=O)OC3)CC[C@]4([C@]2(CC[C@]5([C@]4(C)CC[C@H](O)C5)[H])[H])[H]

Canonical SMILES

O=C1OC=C(C=C1)C2C(O)CC3(O)C4CCC5CC(O)CCC5(C)C4CCC23C

Other Names for this Substance

  • Bufa-20,22-dienolide, 3,14,16-trihydroxy-, (3β,5β,16β)-
  • 5β-Bufa-20,22-dienolide, 3β,14,16β-trihydroxy-
  • (3β,5β,16β)-3,14,16-Trihydroxybufa-20,22-dienolide
  • Bufogenin B
  • Desacetylbufotalin

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Deleted or Replaced CAS Registry Numbers

119222-84-3

CAS INSIGHTSTM
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