Structure Database (LMSD)

Common Name
9beta,19-cyclo-lanostane skeleton
Systematic Name
Synonyms
LM ID
LMST01100000
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cycloartanols and derivatives [ST0110]

String Representations

InChiKey (Click to copy)
BSLYZLYLUUIFGZ-AGMWJVERSA-N
InChi (Click to copy)
InChI=1S/C30H52/c1-21(2)10-8-11-22(3)23-14-17-28(7)25-13-12-24-26(4,5)15-9-16-29(24)20-30(25,29)19-18-27(23,28)6/h21-25H,8-20H2,1-7H3/t22-,23-,24?,25+,27-,28+,29-,30+/m1/s1
SMILES (Click to copy)
[C@]12(CCC3C(C)(C)CCC[C@]43C[C@@]14CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C)C)CC[C@@]21C)[H]

Other Databases

PubChem CID
73946272

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 5
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 465.76
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 9.28
Molar Refractivity 129.35

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Created at
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Updated at
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