Structure Database (LMSD)

H O H H H H H
Common Name
19-norcholestenone
Systematic Name
19-norcholest-5-en-3-one
Synonyms
LM ID
LMST01010313
Formula
C26H42O
Exact Mass
Calculate m/z
370.323565
Sum Composition
ST 26:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cholesterol and derivatives [ST0101]

String Representations

InChiKey (Click to copy)
GJQWMFNAGHAFDW-DNHZKMRASA-N
InChi (Click to copy)
InChI=1S/C26H42O/c1-17(2)6-5-7-18(3)24-12-13-25-23-10-8-19-16-20(27)9-11-21(19)22(23)14-15-26(24,25)4/h16-18,21-25H,5-15H2,1-4H3/t18-,21+,22-,23-,24-,25+,26-/m1/s1
SMILES (Click to copy)
[C@]12(CCC3=CC(=O)CC[C@]3([H])[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C)C)CC[C@@]21[H])[H]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Muricea (#44192)
Anthozoa (#6101)
Marine Sterols,
Nat Prod Rep, 1991

Other Databases

CHEBI ID
166788
PubChem CID
3081996

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 412.43
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 7.21
Molar Refractivity 113.44

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Created at
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Updated at
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