3,9beta-hydroxy-22alpha,23alpha-epoxy-9(10)-seco-solanida-1,3,5(10)-triene, (rel)-

Properties Image MNX_ID MNXM101787 reference chebi:69655 formula C27H39NO3 global charge 0 mol weight 425.613 InChIKey ZSZIYSIYMPMVLO-YABRITBBSA-N InChI InChI=1S/C27H39NO3/c1-15-11-24-27(31-24)17(3)25-22(28(27)14-15)13-21-20(23(30)9-10-26(21,25)4)8-6-18-12-19(29)7-5-16(18)2/h5,7,12,15,17,20-25,29-30H,6,8-11,13-14H2,1-4H3/t15-,17-,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1 SMILES CC1=CC=C(O)C=C1CC[C@@H]1[C@@H](O)CC[C@]2(C)[C@@H]3[C@H](C[C@@H]12)N1C[C@@H](C)C[C@H]2O[C@]21[C@H]3C MNX internals InChI (mnx) InChI=1/C27H39NO3/c1-15-11-24-27(31-24)17(3)25-22(28(27)14-15)13-21-20(23(30)9-10-26(21,25)4)8-6-18-12-19(29)7-5-16(18)2/h5,7,12,15,17,20-25,29-30H,6,8-11,13-14H2,1-4H3/t15-,17-,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1 SMILES (mnx) [CH3:1][C@H:15]1[CH2:11][C@@H:24]2[C@@:27]3([C@@H:17]([CH3:3])[C@H:25]4[C@H:22]([CH2:13][C@H:21]5[C@H:20]([CH2:8][CH2:6][C:18]6=[C:16]([CH3:2])[CH:5]=[CH:7][C:19]([OH:29])=[CH:12]6)[C@@H:23]([OH:30])[CH2:9][CH2:10][C@@:26]54[CH3:4])[N:28]3[CH2:14]1)[O:31]2

Parent-child relations graph

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