Structure Database (LMSD)
Common Name
27-Norcholestanehexol
Systematic Name
5β-27-norcholestane-3α,7α,12α,24,25,26-hexol
Synonyms
LM ID
LMST04020029
Formula
Exact Mass
Calculate m/z
454.32944
Sum Composition
Status
Active
3D model of 27-Norcholestanehexol
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)
PYLPANOYZCSFOX-UCIVWCSPSA-N
InChi (Click to copy)
InChI=1S/C26H46O6/c1-14(4-7-20(29)22(31)13-27)17-5-6-18-24-19(12-23(32)26(17,18)3)25(2)9-8-16(28)10-15(25)11-21(24)30/h14-24,27-32H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20?,21-,22?,23+,24+,25+,26-/m1/s1
SMILES (Click to copy)
[C@]12([C@H](O)C[C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])C[C@H](O)[C@]1(C)[C@@]([H])([C@@](C)([H])CCC(O)C(O)CO)CC[C@@]21[H])[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
4
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
461.66
Topological Polar Surface Area
121.38
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
6
logP
3.79
Molar Refractivity
124.55
Admin
Created at
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Updated at
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