Structure Database (LMSD)

Common Name
sarmentogenin
Systematic Name
3β,11α,14-trihydroxy-5β-card-20(22)-enolide
Synonyms
  • 11-alpha-Hydroxydigitoxigenin
LM ID
LMST01120024
Status
Active
Exact Mass
Calculate m/z
388.26136
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
CTQXLIFPKAKNFP-SBWCPZHBSA-N
InChi (Click to copy)
InChI=1S/C24H36O4/c1-22-9-7-17(26)12-15(22)4-6-19-21(22)20(27)13-23(2)18(8-10-24(19,23)28)14-3-5-16(25)11-14/h11,15,17-21,26-28H,3-10,12-13H2,1-2H3/t15-,17+,18-,19-,20-,21-,22+,23-,24+/m1/s1
SMILES (Click to copy)
C1C[C@]2([H])[C@]([H])([C@H](O)C[C@@]3(C)[C@]2(O)CC[C@]3([H])C2=CC(=O)CC2)[C@@]2(C)CC[C@H](O)C[C@@]12[H]

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 5
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 391.84
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.24
Molar Refractivity 107.93

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Created at
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Updated at
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