Structure Database (LMSD)
Common Name
Estrane skeleton
Systematic Name
Synonyms
LM ID
LMST02010000
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Estrane skeleton
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)
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]
References
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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