input word = C00051344

Metabolite InformationStructural formula
Name Lup-20(29)-ene-3alpha-acetoxy-24-oic acid
Formula C30H50O4
Mw 474.37091008
CAS RN 412942-35-9
C_ID C00051344
InChIKey PJZNPVOJBXGTJI-HROLTVRYNA-N
InChICode InChI=1S/C32H50O4/c1-19(2)21-11-14-28(4)17-18-30(6)22(26(21)28)9-10-23-29(5)15-13-25(36-20(3)33)32(8,27(34)35)24(29)12-16-31(23,30)7/h21-26H,1,9-18H2,2-8H3,(H,34,35)/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(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@](C)(OC=O)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBurseraceaeBoswellia carterii Ref.
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