Austalide A

Properties Image MNX_ID MNXM119521 reference chebi:224141 formula C28H36O9 global charge 0 mol weight 516.587 InChIKey JVCNHGXAVMINTN-QBNAFFQBSA-N InChI InChI=1S/C28H36O9/c1-14-17-13-33-23(30)20(17)22(31-7)16-11-18-25(5)9-10-27(32-8)36-24(3,4)28(25,37-27)19(34-15(2)29)12-26(18,6)35-21(14)16/h18-19H,9-13H2,1-8H3/t18-,19-,25-,26+,27+,28-/m1/s1 SMILES COC1=C2C[C@H]3[C@](C)(C[C@@H](OC(C)=O)[C@]45O[C@](OC)(CC[C@]34C)OC5(C)C)OC2=C(C)C2=C1C(=O)OC2 MNX internals InChI (mnx) InChI=1/C28H36O9/c1-14-17-13-33-23(30)20(17)22(31-7)16-11-18-25(5)9-10-27(32-8)36-24(3,4)28(25,37-27)19(34-15(2)29)12-26(18,6)35-21(14)16/h18-19H,9-13H2,1-8H3/t18-,19-,25-,26+,27+,28-/m1/s1 SMILES (mnx) [CH3:1][C:14]1=[C:21]2[C:16](=[C:22]([O:31][CH3:7])[C:20]3=[C:17]1[CH2:13][O:33][C:23]3=[O:30])[CH2:11][C@@H:18]1[C@@:25]3([CH3:5])[CH2:9][CH2:10][C@:27]4([O:32][CH3:8])[O:36][C:24]([CH3:3])([CH3:4])[C@@:28]3([C@H:19]([O:34][C:15]([CH3:2])=[O:29])[CH2:12][C@:26]1([CH3:6])[O:35]2)[O:37]4

Parent-child relations graph

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