Structure Database (LMSD)
Common Name
19-norcholestenone
Systematic Name
19-norcholest-5-en-3-one
Synonyms
3D model of 19-norcholestenone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
Nat Prod Rep, 1991
DOI:
10.1039/NP9910800465
Other Databases
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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Updated at
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