Structure Database (LMSD)
Systematic Name
(3S,6S)-9,10-seco-5(10),6,7-cholestatrien-3-ol
Synonyms
3D model of
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)
YZGASHZUSKGPDO-WZRNXNRTSA-N
InChi (Click to copy)
InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h13,19,21,24-26,28H,6-11,14-18H2,1-5H3/t12-,21-,24+,25-,26+,27-/m1/s1
SMILES (Click to copy)
[C@@](=C([H])C1=C(C)CC[C@H](O)C1)=C1[C@]2([H])CC[C@@]([H])([C@@]2(C)CCC1)[C@]([H])(C)CCCC(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
3
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
439.45
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
7.89
Molar Refractivity
120.69
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Created at
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Updated at
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