Structure Database (LMSD)
Common Name
Estrane skeleton
Systematic Name
Synonyms
LM ID
LMST02010000
Status
Active
3D model of Estrane skeleton
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
GRXPVLPQNMUNNX-MHJRRCNVSA-N
InChi (Click to copy)
InChI=1S/C18H30/c1-18-11-4-7-17(18)16-9-8-13-5-2-3-6-14(13)15(16)10-12-18/h13-17H,2-12H2,1H3/t13?,14-,15+,16+,17-,18-/m0/s1
SMILES (Click to copy)
[C@]12(CCC3CCCC[C@]3([H])[C@@]1([H])CC[C@]1(C)CCC[C@@]21[H])[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
4
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
270.52
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
5.42
Molar Refractivity
76.34
Admin
Created at
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Updated at
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