input word = C00021223

Metabolite InformationStructural formula
Name (3beta)-28-Norlup-20(29)-ene-3,17-diol 3-acetate
Formula C31H50O3
Mw 470.37599546
CAS RN 202651-67-0
C_ID C00021223 ,
InChIKey ZKEZHFSBVMEYBI-FAGAGEJJNA-N
InChICode InChI=1S/C31H50O3/c1-19(2)21-11-16-31(33)18-17-29(7)22(26(21)31)9-10-24-28(6)14-13-25(34-20(3)32)27(4,5)23(28)12-15-30(24,29)8/h21-26,33H,1,9-18H2,2-8H3/t21-,22+,23-,24+,25-,26-,28-,29+,30+,31-/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)O)C)C)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeMelaleuca leucadendron Ref.
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