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CHEBI:214992 - 4-acetoxy-plakinamine B

Default Structure
ChEBI IDCHEBI:214992
ChEBI Name4-acetoxy-plakinamine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H52N2O2
Net Charge0
Average Mass508.791
Monoisotopic Mass508.40288
SMILESCN[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)/C=C/C5=C(C)CN(C)CC5)CC[C@H]4C3=CC[C@H]2[C@H]1OC(C)=O
InChIInChI=1S/C33H52N2O2/c1-21(8-9-24-16-19-35(7)20-22(24)2)26-12-13-27-25-10-11-29-31(37-23(3)36)30(34-6)15-18-33(29,5)28(25)14-17-32(26,27)4/h8-10,21,26-31,34H,11-20H2,1-7H3/b9-8+/t21-,26-,27+,28+,29+,30-,31-,32-,33-/m1/s1
InChIKeyZMXFMMGMCXCUSR-WXHCSMQHSA-N
Species of MetaboliteComponentSourceComments
Corticiumspecies (in: basidiomycete fungi) (ncbitaxon:1935377) - PubMed (17610922)
ChEBI Ontology
Outgoing Relation(s)
4-acetoxy-plakinamine B (CHEBI:214992) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(3R,4R,5R,9R,10R,13R,14R,17R)-17-[(E,2R)-4-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-yl]-10,13-dimethyl-3-(methylamino)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
Manual XrefsDatabases
23076478ChemSpider