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3b-Hydroxydesogestrel

PropertiesImage
MNX_IDMNXM150219 Image of MNXM150219
referencechebi:175175
formulaC22H30O2
global charge0
mol weight326.48
InChIKeyZMLDTNLDYRJTAZ-GDLCRWSOSA-N
InChIInChI=1S/C22H30O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,16-20,23-24H,3-4,6-11,13H2,1H3/t16-,17-,18-,19-,20+,21-,22-/m0/s1
SMILESC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC
MNX internals
InChI (mnx)InChI=1/C22H30O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,16-20,23-24H,3-4,6-11,13H2,1H3/t16-,17-,18-,19-,20+,21-,22-/m0/s1 Image of MNXM150219
SMILES (mnx)[CH3:1][CH2:4][C@:21]12[CH2:13][C:14](=[CH2:3])[C@@H:20]3[C@H:17]4[CH2:9][CH2:7][C@H:16]([OH:23])[CH:12]=[C:15]4[CH2:6][CH2:8][C@H:18]3[C@@H:19]1[CH2:10][CH2:11][C@:22]2([C:5]#[CH:2])[OH:24]
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:175175
chebi:175175
ZMLDTNLDYRJTAZ-GDLCRWSOSA-N 		3b-Hydroxydesogestrel
(3S,8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
hmdb:HMDB0060707
ZMLDTNLDYRJTAZ-MTRZUGBVSA-N 		15beta-Hydroxydesogestrel
(2R,10S,15S)-15-ethyl-14-ethynyl-17-methylidenetetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-5,14-diol
15b-Hydroxydesogestrel
15beta-hydroxydesogestrel

CHEBI:172555
chebi:172555
ZMLDTNLDYRJTAZ-MTRZUGBVSA-N 		15beta-Hydroxydesogestrel
(8S,10R,13S)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
hmdb:HMDB0060755
ZMLDTNLDYRJTAZ-GDLCRWSOSA-N 		3a-Hydroxydesogestrel
(1S,2R,5S,10S,11S,14R,15S)-15-ethyl-14-ethynyl-17-methylidenetetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-5,14-diol

hmdb:HMDB60707
hmdb:HMDB60755 		secondary/obsolete/fantasy identifier