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3alpha,21-dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one

PropertiesImage
MNX_IDMNXM36894 Image of MNXM36894
referencechebi:79500
formulaC22H34O3
global charge0
mol weight346.511
InChIKeyJTOOMWOXUKJUIP-YMISHOMTSA-N
InChIInChI=1S/C22H34O3/c1-21-10-8-16(24)12-15(21)6-7-17-18-5-3-4-14(9-11-23)22(18,2)13-19(25)20(17)21/h9,15-18,20,23-24H,3-8,10-13H2,1-2H3/b14-9+/t15-,16-,17+,18+,20-,21+,22-/m1/s1
SMILESC[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)/C(=C/CO)CCC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C22H34O3/c1-21-10-8-16(24)12-15(21)6-7-17-18-5-3-4-14(9-11-23)22(18,2)13-19(25)20(17)21/h9,15-18,20,23-24H,3-8,10-13H2,1-2H3/b14-9+/t15-,16-,17+,18+,20-,21+,22-/m1/s1 Image of MNXM36894
SMILES (mnx)[CH3:1][C@:21]12[CH2:10][CH2:8][C@@H:16]([OH:24])[CH2:12][C@H:15]1[CH2:6][CH2:7][C@H:17]1[C@@H:18]3[CH2:5][CH2:3][CH2:4]/[C:14](=[CH:9]\[CH2:11][OH:23])[C@@:22]3([CH3:2])[CH2:13][C:19](=[O:25])[C@@H:20]12
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:79500
chebi:79500
JTOOMWOXUKJUIP-YMISHOMTSA-N 		3alpha,21-dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one
(2R,4aS,4bS,6aS,7E,10aS,10bS,12aR)-2-hydroxy-7-(2- hydroxyethylidene)-4a,6a-dimethyl-octadecahydrochrysen-5-one
(2R,4aS,4bS,6aS,7E,10aS,10bS,12aR)-2-hydroxy-7-(2-hydroxyethylidene)-4a,6a-dimethylhexadecahydrochrysen-5(2H)-one
3alpha,21-dihydroxy-16a-homo-5beta-pregn-17(20)-en-11-one

seed.compound:cpd10672
seedM:cpd10672
kegg.compound:C14976
keggC:C14976
JTOOMWOXUKJUIP-YMISHOMTSA-N 		3alpha,21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one

keggC:M_C14976
seedM:M_cpd10672 		secondary/obsolete/fantasy identifier