Isopreleosibirone

Properties Image MNX_ID MNXM105832 reference chebi:68027 formula C22H32O6 global charge 0 mol weight 392.492 InChIKey HOIUWXWVVKJHSD-WQPGSDOWSA-N InChI InChI=1S/C22H32O6/c1-13-16(24)17(25)18-19(3,4)15(27-14(2)23)6-7-20(18,5)22(13)9-8-21(28-22)10-11-26-12-21/h10-11,13,15-16,18,24H,6-9,12H2,1-5H3/t13-,15-,16-,18+,20+,21+,22-/m1/s1 SMILES CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C(=O)[C@H](O)[C@@H](C)[C@]23CC[C@@]2(C=COC2)O3)C1(C)C MNX internals InChI (mnx) InChI=1/C22H32O6/c1-13-16(24)17(25)18-19(3,4)15(27-14(2)23)6-7-20(18,5)22(13)9-8-21(28-22)10-11-26-12-21/h10-11,13,15-16,18,24H,6-9,12H2,1-5H3/t13-,15-,16-,18+,20+,21+,22-/m1/s1 SMILES (mnx) [CH3:1][C@@H:13]1[C@@H:16]([OH:24])[C:17](=[O:25])[C@H:18]2[C:19]([CH3:3])([CH3:4])[C@H:15]([O:27][C:14]([CH3:2])=[O:23])[CH2:6][CH2:7][C@:20]2([CH3:5])[C@@:22]12[CH2:9][CH2:8][C@@:21]1([CH:10]=[CH:11][O:26][CH2:12]1)[O:28]2

Parent-child relations graph

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