Structure database (LMSD)

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LM IDLMST02020084
Common Nametestolactone (W)
Systematic Name3-oxo-13,17-secoandrosta-1,4-dieno-17,13α-lactone
Synonyms(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-
decahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione; 1,2-
didehydrotestololactone; 1-dehydrotestololactone; 13-hydroxy-3-oxo-13,17-
secoandrosta-1,4-dien-17-oic acid δ-lactone; D-homo-17a-oxaandrosta-1,4-diene-
3,17-dione; δ(1)-testololactone; Teslac; Testolactone
Exact Mass
300.1725 (neutral)    Calculate m/z:
FormulaC19H24O3
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC19 steroids (androgens) and derivatives [ST0202]
AbbrevST 19:4;O3
PubChem CID13769
KEGG IDC02197
HMDB IDHMDB0015031
CHEBI ID9460
InChIKeyBPEWUONYVDABNZ-DZBHQSCQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1
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SMILES
[C@]12([C@@]3(C)C=CC(=O)C=C3CC[C@@]1([H])[C@]1([H])CCC(=O)O[C@@]1(C)CC2)[H]
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
303.63Topological Polar
Surface Area
45.44Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP3.88Molar
Refractivity
83.52