Structure Database (LMSD)

H H H H
Common Name
Estrane skeleton
Systematic Name
Synonyms
LM ID
LMST02010000
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C18 steroids (estrogens) and derivatives [ST0201]

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

Other Databases

Wikipedia
Estrane
CHEBI ID
23966
PubChem CID
5460658

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

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Created at
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Updated at
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