input word = C00025489

Metabolite InformationStructural formula
Name Cyclobuxupaline C
Formula C27H46N2
Mw 398.36609948
CAS RN 51059-60-0
C_ID C00025489 ,
InChIKey RCWXSTBLDOWACH-OKAFCYQONA-N
InChICode InChI=1S/C27H46N2/c1-18(29(7)8)19-11-13-25(5)21-10-9-20-23(2,3)22(28-6)12-14-26(20)17-27(21,26)16-15-24(19,25)4/h9-10,18-22,28H,11-17H2,1-8H3/t18-,19+,20-,21-,22-,24+,25-,26+,27-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@]3(C1)[C@]1([C@@H](C=C2)[C@]2([C@](CC1)([C@H](CC2)[C@@H](N(C)C)C)C)C)C3)(C)C)NC
Start Substs in Alk. Biosynthesis (Prediction) Cholesterol
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus papilosa Ref.
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OrganismBuxus papilosa
ReferenceKhuong-Huu,C.R.Acad.Sci.Ser.C 273,(1971),558