Structure Database (LMSD)
Common Name
Furostane skeleton
Systematic Name
Synonyms
LM ID
LMST01070000
Status
Active
3D model of Furostane 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)
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]
References
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
Admin
Created at
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Updated at
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