input word = C00038126

Metabolite InformationStructural formula
Name Haperforin A
11beta,12beta-Diacetoxyharrisonin
Formula C31H36O14
Mw 632.21050586
CAS RN 247039-12-9
C_ID C00038126 ,
InChIKey HVLGSQRFTUKQIK-SABGFZIYNA-N
InChICode InChI=1S/C31H36O14/c1-14(32)41-18-19-26(5,11-9-17(34)39-8)29(37)24(36)25(3,4)45-31(29,38)28(19,7)30-22(44-30)23(35)43-20(16-10-12-40-13-16)27(30,6)21(18)42-15(2)33/h9-13,18-22,37-38H,1-8H3/b11-9-/t18-,19-,20+,21-,22-,26+,27-,28-,29+,30-,31+/m1/s1
SMILES COC(=O)/C=C[C@]1(C)[C@H]2[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]2(C)[C@]2(O)OC(C)(C)C(=O)[C@@]21O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeHarrisonia abyssinica Ref.
PlantaeSimaroubaceaeHarrisonia perforata Ref.
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OrganismHarrisonia perforata
ReferenceN. Nguyen et al., Chem. Abs., (1997), 128, 292717.