Marinobufagenin

CAS Registry Number®

470-42-8
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CAS Name

Marinobufagenin

Molecular Formula

C24H32O5

Molecular Mass

400.51

Cite this Page

Marinobufagenin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=470-42-8 (retrieved 2024-04-19) (CAS RN: 470-42-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    224-225 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H32O5/c1-21-8-5-15(25)12-23(21,27)10-7-17-16(21)6-9-22(2)18(11-19-24(17,22)29-19)14-3-4-20(26)28-13-14/h3-4,13,15-19,25,27H,5-12H2,1-2H3/t15-,16-,17+,18+,19+,21+,22+,23-,24+/m0/s1

InChIKey

InChIKey=JMNQTHQLNRILMH-OBBGIPBRSA-N

SMILES

C[C@]12[C@]3([C@](O3)(C[C@@H]1C=4C=CC(=O)OC4)[H])[C@]5([C@@]([C@]6(C)[C@](O)(CC5)C[C@@H](O)CC6)(CC2)[H])[H]

Canonical SMILES

O=C1OC=C(C=C1)C2CC3OC34C5CCC6(O)CC(O)CCC6(C)C5CCC24C

Other Names for this Substance

  • Bufa-20,22-dienolide, 14,15-epoxy-3,5-dihydroxy-, (3β,5β,15β)-
  • 5β-Bufa-20,22-dienolide, 14,15β-epoxy-3β,5-dihydroxy-
  • 14,15-Epoxy-14H-cyclopenta[a]phenanthrene, bufa-20,22-dienolide deriv.
  • (3β,5β,15β)-14,15-Epoxy-3,5-dihydroxybufa-20,22-dienolide
  • Marinobufagin

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Deleted or Replaced CAS Registry Numbers

22636-39-1

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