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1beta-hydroxytestosterone

PropertiesImage
MNX_IDMNXM165557 Image of MNXM165557
referencechebi:137076
formulaC19H28O3
global charge0
mol weight304.43
InChIKeyLUWKGSHFDJJDAJ-SLMGBJJTSA-N
InChIInChI=1S/C19H28O3/c1-18-8-7-15-13(14(18)5-6-16(18)21)4-3-11-9-12(20)10-17(22)19(11,15)2/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14-,15-,16-,17+,18-,19-/m0/s1
SMILESC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C[C@@H](O)[C@@]43C)[C@@H]1CC[C@@H]2O
MNX internals
InChI (mnx)InChI=1/C19H28O3/c1-18-8-7-15-13(14(18)5-6-16(18)21)4-3-11-9-12(20)10-17(22)19(11,15)2/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14-,15-,16-,17+,18-,19-/m0/s1 Image of MNXM165557
SMILES (mnx)[CH3:1][C@:18]12[CH2:8][CH2:7][C@H:15]3[C@@H:13]([CH2:4][CH2:3][C:11]4=[CH:9][C:12](=[O:20])[CH2:10][C@@H:17]([OH:22])[C@@:19]43[CH3:2])[C@@H:14]1[CH2:5][CH2:6][C@@H:16]2[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:137076
chebi:137076
LUWKGSHFDJJDAJ-SLMGBJJTSA-N 		1beta-hydroxytestosterone
(1beta,17beta)-1,17-dihydroxyandrost-4-en-3-one
1beta,17beta-dihydroxyandrost-4-en-3-one

sabiork.compound:21120
sabiorkM:21120
LUWKGSHFDJJDAJ-SLMGBJJTSA-N 		1beta-Hydroxytestosterone
(1R,8S,9S,10R,13S,14S,17S)-1,17-Dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

SLM:000597845
slm:000597845
LUWKGSHFDJJDAJ-SLMGBJJTSA-N 		1beta-hydroxytestosterone

lipidmaps:LMST02020143
lipidmapsM:LMST02020143
LUWKGSHFDJJDAJ-SLMGBJJTSA-N 		1beta-hydroxytestosterone
1beta,17beta-dihydroxyandrost-4-en-3-one
O3
ST 19:2