Structure Database (LMSD)

Common Name
testolactone
Systematic Name
3-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 delta-lactone
  • D-homo-17a-oxaandrosta-1,4-diene-3,17-dione
  • Delta(1)-testololactone
  • Teslac
  • Testolactone
LM ID
LMST02020084
Status
Active
Exact Mass
Calculate m/z
300.172545
Formula
C19H24O3
Abbrev
ST 19:4;O3
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C19 steroids (androgens) and derivatives [ST0202]

String Representations

InChiKey (Click to copy)
BPEWUONYVDABNZ-DZBHQSCQSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
[C@]12([C@@]3(C)C=CC(=O)C=C3CC[C@@]1([H])[C@]1([H])CCC(=O)O[C@@]1(C)CC2)[H]

References

Other Databases

Wikipedia
testolactone
KEGG ID
C02197
HMDB ID
HMDB0015031
CHEBI ID
9460
PubChem CID
13769

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 303.63
Topological Polar Surface Area 45.44
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 3.88
Molar Refractivity 83.52

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Created at
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Updated at
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