trigoheterin C, (rel)-

Properties Image Occurences in reactions MNX_ID MNXM113695 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C40H46O13 charge 0 mass 734.29384 reference chebi:69171 InChIKey OFOHNNXIPQIVSD-XNFYJXMLSA-N InChI InChI=1S/C40H46O13/c1-20(2)38-31(48-24(6)42)22(4)39-28-19-21(3)30(47-23(5)41)37(28,46)35(50-34(44)26-15-11-9-12-16-26)36(8,45)32(49-25(7)43)29(39)33(38)51-40(52-38,53-39)27-17-13-10-14-18-27/h9-18,21-22,28-33,35,45-46H,1,19H2,2-8H3/t21-,22+,28+,29-,30-,31-,32-,33+,35+,36+,37+,38-,39-,40?/m0/s1 SMILES C=C(C)[C@@]12OC3(c4ccccc4)O[C@@H]1[C@@H]1[C@H](OC(C)=O)[C@@](C)(O)[C@@H](OC(=O)c4ccccc4)[C@]4(O)[C@@H](OC(C)=O)[C@@H](C)C[C@H]4[C@@]1(O3)[C@H](C)[C@@H]2OC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph