Structure Database (LMSD)
Common Name
Gorgostane skeleton
Systematic Name
Synonyms
LM ID
LMST01060000
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Gorgostane 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)
HMDSENZCYXUARJ-YTJYYLLXSA-N
InChi (Click to copy)
InChI=1S/C30H52/c1-19(2)21(4)30(7)18-27(30)20(3)24-13-14-25-23-12-11-22-10-8-9-16-28(22,5)26(23)15-17-29(24,25)6/h19-27H,8-18H2,1-7H3/t20-,21+,22?,23-,24+,25-,26-,27+,28-,29+,30+/m0/s1
SMILES (Click to copy)
[C@]12(CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])[C@H]3C[C@]3(C)[C@H](C)C(C)C)CC[C@@]21[H])[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
5
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
465.76
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
8.99
Molar Refractivity
129.21
Admin
Created at
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Updated at
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