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 C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@H]1[C@@](CC2)(CC[C@H]1C(=C)C)C)CO)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeLithocarpus correa Ref.
PlantaeMelianthaceaeBersama swinyi Ref.
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