Structure Database (LMSD)

Common Name
Dormatinone
Systematic Name
(25S)-3β,26-dihydroxycholest-5-en-22-one
Synonyms
LM ID
LMST01010100
Status
Active
Exact Mass
Calculate m/z
416.329045
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)
ANPHLQXCHVRCDX-LURFOZDGSA-N
InChi (Click to copy)
InChI=1S/C27H44O3/c1-17(16-28)5-10-25(30)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-24,28-29H,5,7-16H2,1-4H3/t17-,18-,20-,21-,22+,23-,24-,26-,27+/m0/s1
SMILES (Click to copy)
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])C(=O)CC[C@@H](CO)C)CC[C@@]21[H])[H]

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 447.31
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.11
Molar Refractivity 121.86

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Created at
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Updated at
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