Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST01060002
Common Name-
Systematic Namegorgostan-3β-ol
Synonyms-
Exact Mass
428.4018 (neutral)    Calculate m/z:
FormulaC30H52O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassGorgosterols and derivatives [ST0106]
AbbrevST 30:1;O
PubChem CID42608417
InChIKeyHSYBQACFKPFBJN-DYQPDVPASA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C30H52O/c1-18(2)20(4)30(7)17-27(30)19(3)24-10-11-25-23-9-8-21-16-22(31)12-14-28(21,5)26(23)13-15-29(24,25)6/h18-27,31H,8-17H2,1-7H3/t19?,20-,21+,22+,23?,24-,25?,26?,27-,28+,29-,30-/m1/s1
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SMILES
O[C@H]1CC[C@@]2(C3CC[C@]4(C)[C@@H](C([C@H]5C[C@]5(C)[C@H](C)C(C)C)C)CCC4C3CC[C@@]2([H])C1)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms31Rings5Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
474.55Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.25Molar
Refractivity
131.12