Structure Database (LMSD)

Common Name
Strophanthidin
Systematic Name
3β,5,14-trihydroxy-19-oxo-5β-card-20(22)-enolide
Synonyms
  • 5beta-Hydroxy-19-oxodigitoxigenin
  • Convallatoxigenin
  • Corchorgenin
  • Corchorin
  • Corchoside A aglycon
  • Corchsularin
  • Erysimupicrone
  • Strophanthidin K
  • Strophanthidine
LM ID
LMST01120005
Status
Active
Exact Mass
Calculate m/z
404.21989
Formula
C23H32O6
Abbrev
ST 23:4;O6
Show lipids differing only in stereochemistry/bond geometry
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Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cardanolides and derivatives [ST0112]

String Representations

InChiKey (Click to copy)
ODJLBQGVINUMMR-HZXDTFASSA-N
InChi (Click to copy)
InChI=1S/C23H32O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,13,15-18,25,27-28H,2-9,11-12H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1
SMILES (Click to copy)
C1[C@@]2(C=O)[C@](O)(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@]3(O)CC[C@]2([H])C2=CC(=O)OC2)C[C@@H](O)C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Strophanthus kombe (#992788)
Magnoliopsida (#3398)
The crystal structure of strophanthidin, a cardioactive steroid, C23H32O6.1/2H2O,
Acta Cryst B, 1973

Other Databases

Wikipedia
strophanthidin
CHEBI ID
38178
PubChem CID
6185

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 5
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 389.48
Topological Polar Surface Area 106.13
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.04
Molar Refractivity 105.60

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Created at
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Updated at
16th Dec 2021