input word = C00041046

Metabolite InformationStructural formula
Name Lup-20(29)-ene-3beta,27-diol
Formula C30H50O2
Mw 442.38108084
CAS RN 58940-21-9
C_ID C00041046 ,
InChIKey XHOGEOQSRLNKKB-SQOQKLDLNA-N
InChICode InChI=1S/C30H50O2/c1-19(2)20-10-13-27(5)16-17-30(18-31)21(25(20)27)8-9-23-28(6)14-12-24(32)26(3,4)22(28)11-15-29(23,30)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25-,27+,28-,29+,30-/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](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeLithocarpus correa Ref.
PlantaeMelianthaceaeBersama swinyi Ref.
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OrganismLithocarpus correa
ReferenceHui,J.Chem.Soc.,Perkin 1,(1976),23