input word = C00042123

Metabolite InformationStructural formula
Name 3-epi-Betulin
(+)-3-epi-Betulin
Formula C30H50O2
Mw 442.38108084
CAS RN 35316-99-5
C_ID C00042123 ,
InChIKey FVWJYYTZTCVBKE-XUPSYBGQNA-N
InChICode InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)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@]2([C@H](C([C@@H](C1)O)(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@]1(CC[C@@]1([C@H]2[C@@H](CC1)C(=C)C)CO)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus cuzcoina Ref.
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OrganismMaytenus cuzcoina
ReferenceNunez,J.Nat.Prod.,68,(2005),1018