6-beta-Hydroxy-mometasone furoate

Properties Image MNX_ID MNXM151461 reference chebi:180659 formula C27H30Cl2O7 global charge 0 mol weight 537.436 InChIKey NVZADOUZVHKHSK-PWHXNIGKSA-N InChI InChI=1S/C27H30Cl2O7/c1-14-9-17-22-18(31)11-15-10-16(30)6-7-24(15,2)26(22,29)20(32)12-25(17,3)27(14,21(33)13-28)36-23(34)19-5-4-8-35-19/h4-8,10,14,17-18,20,22,31-32H,9,11-13H2,1-3H3/t14-,17+,18?,20+,22-,24+,25+,26-,27+/m1/s1 SMILES C[C@@H]1C[C@H]2[C@@H]3C(O)CC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C1=CC=CO1)C(=O)CCl MNX internals InChI (mnx) InChI=1/C27H30Cl2O7/c1-14-9-17-22-18(31)11-15-10-16(30)6-7-24(15,2)26(22,29)20(32)12-25(17,3)27(14,21(33)13-28)36-23(34)19-5-4-8-35-19/h4-8,10,14,17-18,20,22,31-32H,9,11-13H2,1-3H3/t14-,17+,18?,20+,22-,24+,25+,26-,27+/m1/s1 SMILES (mnx) [CH3:1][C@@H:14]1[CH2:9][C@H:17]2[C@@H:22]3[CH:18]([OH:31])[CH2:11][C:15]4=[CH:10][C:16](=[O:30])[CH:6]=[CH:7][C@:24]4([CH3:2])[C@@:26]3([Cl:29])[C@@H:20]([OH:32])[CH2:12][C@:25]2([CH3:3])[C@:27]1([C:21]([CH2:13][Cl:28])=[O:33])[O:36][C:23]([C:19]1=[CH:5][CH:4]=[CH:8][O:35]1)=[O:34]

Parent-child relations graph

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