7alpha-1(10->19)-Abeo-7-acetoxyobacun-9(11)-ene

Properties Image MNX_ID MNXM118590 reference hmdb:HMDB0036033 formula C28H32O8 global charge 0 mol weight 496.556 InChIKey VIZDPIMTQWFZEF-VURMDHGXSA-N InChI InChI=1S/C28H32O8/c1-15(29)33-20-13-19-17(7-6-8-21(30)35-25(19,2)3)18-9-11-26(4)22(16-10-12-32-14-16)34-24(31)23-28(26,36-23)27(18,20)5/h6,8-10,12,14,17,19-20,22-23H,7,11,13H2,1-5H3/b8-6- SMILES CC(=O)OC1CC2C(C/C=C\C(=O)OC2(C)C)C2=CCC3(C)C(C4=COC=C4)OC(=O)C4OC43C21C MNX internals InChI (mnx) InChI=1/C28H32O8/c1-15(29)33-20-13-19-17(7-6-8-21(30)35-25(19,2)3)18-9-11-26(4)22(16-10-12-32-14-16)34-24(31)23-28(26,36-23)27(18,20)5/h6,8-10,12,14,17,19-20,22-23H,7,11,13H2,1-5H3/b8-6-/t17?,19?,20?,22?,23?,26?,27?,28? SMILES (mnx) [CH3:1][C:15](=[O:29])[O:33][CH:20]1[CH2:13][CH:19]2[CH:17]([CH2:7]/[CH:6]=[CH:8]\[C:21](=[O:30])[O:35][C:25]2([CH3:2])[CH3:3])[C:18]2=[CH:9][CH2:11][C:26]3([CH3:4])[CH:22]([C:16]4=[CH:14][O:32][CH:12]=[CH:10]4)[O:34][C:24](=[O:31])[CH:23]4[C:28]3([C:27]21[CH3:5])[O:36]4

Parent-child relations graph

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