Structure Database (LMSD)

Common Name
Furostane skeleton
Systematic Name
Synonyms
LM ID
LMST01070000
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Furostanols and derivatives [ST0107]

String Representations

InChiKey (Click to copy)
CTYOUOHIEXEYAW-MEVSNGMESA-N
InChi (Click to copy)
InChI=1S/C27H46O/c1-17(2)9-12-23-18(3)25-24(28-23)16-22-20-11-10-19-8-6-7-14-26(19,4)21(20)13-15-27(22,25)5/h17-25H,6-16H2,1-5H3/t18-,19?,20-,21+,22+,23-,24+,25+,26+,27+/m1/s1
SMILES (Click to copy)
[C@]12(CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H]3[C@H](C)[C@@H](CCC(C)C)O[C@H]3C[C@@]21[H])[H]

Other Databases

CHEBI ID
24130
PubChem CID
53740100

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 5
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 422.65
Topological Polar Surface Area 11.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 8.06
Molar Refractivity 118.14

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Created at
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Updated at
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