Gamabufotalin

CAS Registry Number®

465-11-2
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CAS Name

Gamabufotalin

Molecular Formula

C24H34O5

Molecular Mass

402.52

Cite this Page

Gamabufotalin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=465-11-2 (retrieved 2024-08-19) (CAS RN: 465-11-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    254 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

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

InChIKey=FMTLOAVOGWSPEF-KJRPADTMSA-N

SMILES

C[C@@]12[C@@](O)([C@]3([C@]([C@H](O)C1)([C@]4(C)[C@](CC3)(C[C@@H](O)CC4)[H])[H])[H])CC[C@@H]2C=5C=CC(=O)OC5

Canonical SMILES

O=C1OC=C(C=C1)C2CCC3(O)C4CCC5CC(O)CCC5(C)C4C(O)CC23C

Other Names for this Substance

  • Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3β,5β,11α)-
  • Gamabufotalin
  • 5β-Bufa-20,22-dienolide, 3β,11α,14-trihydroxy-
  • (3β,5β,11α)-3,11,14-Trihydroxybufa-20,22-dienolide
  • Gamabufagin

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