input word = C00041268

Metabolite InformationStructural formula
Name 3alpha,20-Lupandiol
(-)-3alpha,20-Lupandiol
Formula C30H52O2
Mw 444.3967309
CAS RN 876297-46-0
C_ID C00041268 ,
InChIKey YDNYDUBBAZTLTQ-NBSWAARWNA-N
InChICode InChI=1S/C30H52O2/c1-25(2)21-12-16-30(8)22(28(21,6)15-13-23(25)31)10-9-20-24-19(26(3,4)32)11-14-27(24,5)17-18-29(20,30)7/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21-,22-,23-,24+,27-,28+,29-,30-/m1/s1
SMILES [C@@H]12[C@@](CC[C@@]3([C@@H]1CC[C@H]1[C@]3(CC[C@H]3[C@@]1(CC[C@H](C3(C)C)O)C)C)C)(CC[C@H]2C(C)(O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeGrewia bilamellata Ref.
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