(2S)-2'-methoxykurarinone

Properties Image MNX_ID MNXM102135 reference chebi:66151 formula C27H32O6 global charge 0 mol weight 452.547 InChIKey KTAQQSUPNZAWEY-OSPHWJPCSA-N InChI InChI=1S/C27H32O6/c1-15(2)7-8-17(16(3)4)11-20-21(29)13-25(32-6)26-22(30)14-24(33-27(20)26)19-10-9-18(28)12-23(19)31-5/h7,9-10,12-13,17,24,28-29H,3,8,11,14H2,1-2,4-6H3/t17-,24+/m1/s1 SMILES C=C(C)[C@H](CC=C(C)C)CC1=C(O)C=C(OC)C2=C1O[C@H](C1=CC=C(O)C=C1OC)CC2=O MNX internals InChI (mnx) InChI=1/C27H32O6/c1-15(2)7-8-17(16(3)4)11-20-21(29)13-25(32-6)26-22(30)14-24(33-27(20)26)19-10-9-18(28)12-23(19)31-5/h7,9-10,12-13,17,24,28-29H,3,8,11,14H2,1-2,4-6H3/t17-,24+/m1/s1 SMILES (mnx) [CH3:1][C:15]([CH3:2])=[CH:7][CH2:8][C@H:17]([CH2:11][C:20]1=[C:27]2[C:26](=[C:25]([O:32][CH3:6])[CH:13]=[C:21]1[OH:29])[C:22](=[O:30])[CH2:14][C@@H:24]([C:19]1=[C:23]([O:31][CH3:5])[CH:12]=[C:18]([OH:28])[CH:9]=[CH:10]1)[O:33]2)[C:16](=[CH2:3])[CH3:4]

Parent-child relations graph

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