input word = C00034388

Metabolite InformationStructural formula
Name 3beta,16beta-Diacetoxybetulinic acid
Formula C34H52O6
Mw 556.37638939
CAS RN 934021-46-2
C_ID C00034388 ,
InChIKey SFKUEHZCBKPNEC-XRJCVPRLNA-N
InChICode InChI=1S/C34H52O6/c1-19(2)22-12-17-34(29(37)38)27(40-21(4)36)18-33(9)23(28(22)34)10-11-25-31(7)15-14-26(39-20(3)35)30(5,6)24(31)13-16-32(25,33)8/h22-28H,1,10-18H2,2-9H3,(H,37,38)/t22-,23+,24-,25+,26-,27-,28-,31-,32+,33+,34-/m0/s1
SMILES [C@@H]12[C@@]([C@H](C[C@@]3([C@@H]1CC[C@H]1[C@]3(CC[C@@H]3[C@@]1(CC[C@@H](C3(C)C)OC(=O)C)C)C)C)OC(=O)C)(CC[C@H]2C(=C)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeFagara tessmannii Engl. Ref.
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