Structure database (LMSD)

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LM IDLMST02020101
Common Name7a-Hydroxydehydroepiandrosterone
Systematic Name-
Synonyms-
Exact Mass
304.2038 (neutral)    Calculate m/z:
FormulaC19H28O3
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC19 steroids (androgens) and derivatives [ST0202]
AbbrevST 19:2;O3
PubChem CID65517
KEGG IDC18045
HMDB IDHMDB0004611
CHEBI ID81471
SWISSLIPIDS IDSLM:000485339
CAYMAN ID34268
InChIKeyOLPSAOWBSPXZEA-JIEICEMKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13-,14-,15+,17-,18-,19-/m0/s1
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SMILES
[C@@]12([H])[C@H](O)C=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
308.91Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP3.42Molar
Refractivity
85.13