Structure Database (LMSD)
Common Name
Hopane skeleton
Systematic Name
Synonyms
LM ID
LMPR04000000
Status
Active
3D model of Hopane skeleton
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
AZSXWSHKMWOAPJ-PYQRSULMSA-N
InChi (Click to copy)
InChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h13,18,20-25H,9-12,14-17,19H2,1-8H3/t21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1
SMILES (Click to copy)
[C@]12([H])CC[C@]3([H])[C@@]4(C)CC[C@]([H])(C(C)C)[C@]4([H])C=C[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
5
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
463.12
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
8.91
Molar Refractivity
129.19
Admin
Created at
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Updated at
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