Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST02020006
Common Name-
Systematic Nameandrost-5-en-3β,16α-diol
Synonyms-
Exact Mass
290.2246 (neutral)    Calculate m/z:
FormulaC19H30O2
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC19 steroids (androgens) and derivatives [ST0202]
LIPIDBANK IDSST0027
PubChem CID19274
InChIKeyCVCDJRPXEWJAAY-UVSUZTNJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H30O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14+,15+,16-,17-,18+,19-/m0/s1
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SMILES
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)C[C@H](O)C[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
302.76Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP4.24Molar
Refractivity
84.74