input word = C00025479

Metabolite InformationStructural formula
Name Buxaminol B
Formula C27H46N2O
Mw 414.3610141
CAS RN 58672-77-8
C_ID C00025479 ,
InChIKey GTXYASOPMHQGPE-SEHMNSCGNA-N
InChICode InChI=1S/C27H46N2O/c1-17(28-6)24-22(30)16-27(5)21-11-10-20-18(15-19(21)13-14-26(24,27)4)9-12-23(29(7)8)25(20,2)3/h13,15,17,20-24,28,30H,9-12,14,16H2,1-8H3/t17-,20+,21+,22+,23-,24-,26+,27-/m0/s1
SMILES [C@@H]1(CCC2=CC3=CC[C@]4([C@]([C@@H]3CC[C@H]2C1(C)C)(C[C@H]([C@@H]4[C@H](C)NC)O)C)C)N(C)C
Start Substs in Alk. Biosynthesis (Prediction) Cholesterol
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus sempervirens Ref.
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OrganismBuxus sempervirens
ReferenceVoticky,Collect.Czech.Chem.Commun.,40,(1975),3055