17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate

Properties Image MNX_ID MNXM33705 reference chebi:79669 formula C19H26O4 global charge 0 mol weight 318.413 InChIKey HLTJNNHJVDFQJM-XENJLOSESA-N InChI InChI=1S/C19H26O4/c1-11(20)22-17-7-5-15-13-3-6-16-14(4-8-18(21)23-16)12(13)9-10-19(15,17)2/h4,8,12-17H,3,5-7,9-10H2,1-2H3/t12-,13+,14+,15-,16+,17-,19-/m0/s1 SMILES CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4OC(=O)C=C[C@@H]4[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C19H26O4/c1-11(20)22-17-7-5-15-13-3-6-16-14(4-8-18(21)23-16)12(13)9-10-19(15,17)2/h4,8,12-17H,3,5-7,9-10H2,1-2H3/t12-,13+,14+,15-,16+,17-,19-/m0/s1 SMILES (mnx) [CH3:1][C:11](=[O:20])[O:22][C@H:17]1[CH2:7][CH2:5][C@H:15]2[C@@H:13]3[CH2:3][CH2:6][C@@H:16]4[C@H:14]([CH:4]=[CH:8][C:18](=[O:21])[O:23]4)[C@H:12]3[CH2:9][CH2:10][C@@:19]21[CH3:2]

Parent-child relations graph

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