12alpha-Hydroxy-13,18-dehydroparain

Properties Image MNX_ID MNXM116148 reference chebi:175842 formula C21H28O6 global charge 0 mol weight 376.449 InChIKey CKRHSGZMMGXRKZ-UHFFFAOYSA-N InChI InChI=1S/C21H28O6/c1-9-6-13(26-5)19(25)21(4)11(9)7-14-20(3)12(8-15(22)27-14)10(2)16(23)17(24)18(20)21/h6,9,11-12,14,16-18,23-24H,2,7-8H2,1,3-5H3 SMILES C=C1C(O)C(O)C2C3(C)C(=O)C(OC)=CC(C)C3CC3OC(=O)CC1C32C MNX internals InChI (mnx) InChI=1/C21H28O6/c1-9-6-13(26-5)19(25)21(4)11(9)7-14-20(3)12(8-15(22)27-14)10(2)16(23)17(24)18(20)21/h6,9,11-12,14,16-18,23-24H,2,7-8H2,1,3-5H3/t9?,11?,12?,14?,16?,17?,18?,20?,21? SMILES (mnx) [CH3:1][CH:9]1[CH:6]=[C:13]([O:26][CH3:5])[C:19](=[O:25])[C:21]2([CH3:4])[CH:11]1[CH2:7][CH:14]1[C:20]3([CH3:3])[CH:12]([CH2:8][C:15](=[O:22])[O:27]1)[C:10](=[CH2:2])[CH:16]([OH:23])[CH:17]([OH:24])[CH:18]32

Parent-child relations graph

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