Structure Database (LMSD)
Common Name
Furopirostane skeleton
Systematic Name
Synonyms
LM ID
LMST01090000
Status
Curated
3D model of Furopirostane 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)
JSDSJUPEGNNVNX-NERVNPJOSA-N
InChi (Click to copy)
InChI=1S/C27H44O2/c1-17-23-22(28-27(17)15-14-24(2,3)29-27)16-21-19-10-9-18-8-6-7-12-25(18,4)20(19)11-13-26(21,23)5/h17-23H,6-16H2,1-5H3/t17-,18?,19+,20-,21-,22-,23-,25-,26-,27-/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@H]5[C@@H]([C@]6(O[C@H]5C[C@@]4([H])[C@]3([H])CCC2CCC1)CC[C@](C)(C)O6)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
6
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
419.08
Topological Polar Surface Area
22.60
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
7.82
Molar Refractivity
117.92
Admin
Created at
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Updated at
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