input word = C00053621

Metabolite InformationStructural formula
Name Pachystermine B
Formula C29H50N2O2
Mw 458.38722885
CAS RN 6157-00-2
C_ID C00053621
InChIKey AENZWKGHCPXWBZ-APKZJJHSSA-N
InChICode InChI=1S/C29H50N2O2/c1-17(2)20-16-31(27(20)33)25-13-15-29(5)23-12-14-28(4)21(18(3)30(6)7)10-11-22(28)19(23)8-9-24(29)26(25)32/h17-26,32H,8-16H2,1-7H3/t18-,19-,20-,21+,22-,23-,24-,25-,26+,28+,29+/m0/s1
SMILES CC(C)[C@@H]1CN([C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]43)[C@H]2O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBuxaceaePachysandra terminalis Ref.
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OrganismPachysandra terminalis
ReferenceZhai, H-Y. et al., J. Nat. Prod., 75, (2012), 1305-1311.