Search MNXref
 Feedback

17-Hydroxymethylethisterone

PropertiesImage
MNX_IDMNXM150260 Image of MNXM150260
referencechebi:174628
formulaC22H30O3
global charge0
mol weight342.479
InChIKeyJGJFMZZHCOKXHX-RIONBYPISA-N
InChIInChI=1S/C22H30O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,14,16-18,23,25H,5-10,12-13H2,2-3H3/t14-,16+,17-,18-,20-,21-,22?/m0/s1
SMILESC#CC1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](CO)C[C@]4(C)[C@H]3CC[C@@]21C
MNX internals
InChI (mnx)InChI=1/C22H30O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,14,16-18,23,25H,5-10,12-13H2,2-3H3/t14-,16+,17-,18-,20-,21-,22?/m0/s1 Image of MNXM150260
SMILES (mnx)[CH:1]#[C:4][C:22]1([OH:25])[CH2:10][CH2:8][C@H:18]2[C@@H:16]3[CH2:6][CH2:5][C:15]4=[CH:11][C:19](=[O:24])[C@H:14]([CH2:13][OH:23])[CH2:12][C@:20]4([CH3:2])[C@H:17]3[CH2:7][CH2:9][C@@:21]21[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:174628
chebi:174628
JGJFMZZHCOKXHX-RIONBYPISA-N 		17-Hydroxymethylethisterone
(2S,8R,9S,10R,13S,14S)-17-ethynyl-17-hydroxy-2-(hydroxymethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
hmdb:HMDB0060710
JGJFMZZHCOKXHX-RIONBYPISA-N 		17-Hydroxymethylethisterone
(1S,2R,4S,10R,11S,15S)-14-ethynyl-14-hydroxy-4-(hydroxymethyl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one

hmdb:HMDB60710 		secondary/obsolete/fantasy identifier