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testololactone

Properties

Image

Occurences in reactions

MNX_ID

MNXM1052

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₁₉H₂₆O₃

charge

mass

302.40794

reference

InChIKey

CNIXJDVUMXTEKX-DZBHQSCQSA-N

InChI

InChI=1S/C19H26O3/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/h11,14-16H,3-10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC(=O)O2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18084 chebi:18084	testololactone (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-3,4,4a,5,6,9,10,10a,10b,11,12,12a-dodecahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione 17a-oxa-D-homoandrost-4-ene-3,17-dione 3-Oxo-13,17-secoandrost-4-ene-17,13alpha-lactone 3-oxo-13,17-secoandrost-4-eno-17,13-alpha-lactone 3-oxo-13,17-secoandrost-4-eno-17,13alpha-lactone D-homo-17a-oxaandrost-4-ene-3,17-dione Testololactone hydrotestolactone
lipidmaps:LMST02020061 lipidmapsM:LMST02020061	3-oxo-13,17-secoandrost-4-ene-17,13alpha-lactone
seed.compound:cpd02850 seedM:cpd02850	Testololactone 17alpha-oxo-D-homoandrost-4-ene-3,17-dione 3-Oxo-13,17-secoandrost-4-ene-17,13alpha-lactone 3-oxo-13,17-secoandrost-4-ene-17,13alpha-lactone D-homo-17alpha-oxaandrost-4-ene-3,17-dione hydrotestolactone testololactone
kegg.compound:C04676 keggC:C04676	Testololactone 3-Oxo-13,17-secoandrost-4-ene-17,13alpha-lactone
metacyc.compound:TESTOLOLACTONE metacycM:TESTOLOLACTONE	testololactone 17alpha-oxo-D-homoandrost-4-ene-3,17-dione 3-oxo-13,17-secoandrost-4-ene-17,13alpha-lactone D-homo-17alpha-oxaandrost-4-ene-3,17-dione hydrotestolactone
chebi:11866 chebi:15213 chebi:1620 chebi:20148 chebi:26882 keggC:M_C04676 seedM:M_cpd02850	secondary/obsolete/fantasy identifier