Hellebrigenin

CAS Registry Number®

465-90-7
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CAS Name

Hellebrigenin

Molecular Formula

C24H32O6

Molecular Mass

416.51

Cite this Page

Hellebrigenin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=465-90-7 (retrieved 2024-05-13) (CAS RN: 465-90-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    175 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H32O6/c1-21-8-5-18-19(6-10-23(28)12-16(26)4-9-22(18,23)14-25)24(21,29)11-7-17(21)15-2-3-20(27)30-13-15/h2-3,13-14,16-19,26,28-29H,4-12H2,1H3/t16-,17+,18-,19+,21+,22-,23-,24-/m0/s1

InChIKey

InChIKey=TVKPTWJPKVSGJB-XHCIOXAKSA-N

SMILES

C(=O)[C@@]12[C@@]3([C@]([C@]4(O)[C@](C)(CC3)[C@H](CC4)C=5C=CC(=O)OC5)(CC[C@]1(O)C[C@@H](O)CC2)[H])[H]

Canonical SMILES

O=CC12CCC(O)CC2(O)CCC3C1CCC4(C)C(C5=COC(=O)C=C5)CCC34O

Other Names for this Substance

  • Bufa-20,22-dienolide, 3,5,14-trihydroxy-19-oxo-, (3β,5β)-
  • 5β-Bufa-20,22-dienolide, 3β,5,14-trihydroxy-19-oxo-
  • (3β,5β)-3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide
  • Bufotalidin
  • Hellebrigenin

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