1,2-Dehydrotestololactone

HCID 5407

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Basic information

Standard SMILES: CC12CCC3C(CCC4=CC(=O)C=CC43C)C1CCC(=O)O2
InChIKey: BPEWUONYVDABNZ-UHFFFAOYSA-N
Molecular formula: C19H24O3
Average molar mass: 300.4 g/mol
Monoisotopic mass: 300.17254462

Overview

See also: Testolactone (annotation moved to).

Names & identifiers

Preferred name: 1,2-Dehydrotestololactone
IUPAC: 10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione

Names & synonyms

1,2-DehydrotestololactoneTeslak.DELTA.1-Testololactone.DELTA.1-Dehydrotestolactone.DELTA.1-DehydrotestololactoneNSC 12173NSC 23759CHEMBL166839Testolactone CIII (125 mg)DTXSID10859561BPEWUONYVDABNZ-UHFFFAOYSA-N17a-Oxa-D-homoandrosta-1,4-diene-3,17-dione

Show more names

13,17-Secoandrosta-1,4-dien-17-oic acid, 13-hydroxy-3-oxo-, .delta.-lactone13-Hydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid .delta.-lactone10a,12a-Dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione #10a,12a-Dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-phenanthro[2,1-b]pyran-2,8(4bH)-dione2H-Phenanthro(2,1-b)pyran-2,8(4bH)-dione, 3,4,4a,5,6,10a,10b,11,12,12a-decahydro-10a,12a-dimethyl-, , [4aS-(4a.alpha.,4b.beta.,10a.beta.,10b.alpha.,12a.beta.)]-

Database identifiers

PubChem CID: 5407
DTXSID: DTXSID10859561
ChEMBL: CHEMBL166839

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 22
Formal charge: 0
Complexity: 602

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Compound notes

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