input word = C00042114

Metabolite InformationStructural formula
Name 3alpha-Acetoxy-27-hydroxylup-20(29)-en-24-oic acid
(+)-3alpha-Acetoxy-27-hydroxylup-20(29)-en-24-oic acid
Formula C32H50O5
Mw 514.36582471
CAS RN 847844-98-8
C_ID C00042114 ,
InChIKey SFMBHTKBXIQXHJ-KRYAFGOQNA-N
InChICode InChI=1S/C32H50O5/c1-19(2)21-10-13-28(4)16-17-32(18-33)22(26(21)28)8-9-23-29(5)14-12-25(37-20(3)34)31(7,27(35)36)24(29)11-15-30(23,32)6/h21-26,33H,1,8-18H2,2-7H3,(H,35,36)/t21-,22+,23+,24+,25+,26-,28+,29+,30+,31+,32-/m0/s1
SMILES C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(CO)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBurseraceaeBoswellia papyrifera Ref.
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