Structure database (LMSD)

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LM IDLMST02020004
Common Name11β-Hydroxyisoandrosterone
Systematic Name3β,11β-dihydroxy-androstan-17-one
Synonyms-
Exact Mass
306.2195 (neutral)    Calculate m/z:
FormulaC19H30O3
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC19 steroids (androgens) and derivatives [ST0202]
LIPIDBANK IDSST0025
PubChem CID16061357
InChIKeyPIXFHVWJOVNKQK-CZQRWWPKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,17+,18-,19-/m0/s1
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SMILES
C1[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)C(=O)CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])C[C@@H](O)C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
311.55Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP3.50Molar
Refractivity
85.15