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CHEBI:18360 - 13-(2-methylcrotonoyloxy)lupanine

ChEBI IDCHEBI:18360
ChEBI Name13-(2-methylcrotonoyloxy)lupanine
Stars
Secondary ChEBI IDsCHEBI:749, CHEBI:11318, CHEBI:19146
Last Modified3 August 2014
DownloadsMolfile
FormulaC20H30N2O3
Net Charge0
Average Mass346.471
Monoisotopic Mass346.22564
SMILES[H][C@]1(OC(=O)/C(C)=C/C)CCN2C[C@H]3C[C@H](CN4C(=O)CCC[C@]34[H])[C@@]2([H])C1
InChIInChI=1S/C20H30N2O3/c1-3-13(2)20(24)25-16-7-8-21-11-14-9-15(18(21)10-16)12-22-17(14)5-4-6-19(22)23/h3,14-18H,4-12H2,1-2H3/b13-3+/t14-,15-,16+,17-,18-/m1/s1
InChIKeyUPVPJQNTGLTBPC-SJCLNHAISA-N
ChEBI Ontology
Outgoing Relation(s)
13-(2-methylcrotonoyloxy)lupanine (CHEBI:18360) has functional parent lupanine (CHEBI:28193)
13-(2-methylcrotonoyloxy)lupanine (CHEBI:18360) is a organic heterotetracyclic compound (CHEBI:38163)
13-(2-methylcrotonoyloxy)lupanine (CHEBI:18360) is conjugate base of 13-(2-methylcrotonoyloxy)lupaninium (CHEBI:58460)
Incoming Relation(s)
13-(2-methylcrotonoyloxy)lupaninium (CHEBI:58460) is conjugate acid of 13-(2-methylcrotonoyloxy)lupanine (CHEBI:18360)
IUPAC Name 
(2S,7R,7aR,14R,14aR)-11-oxododecahydro-2H,11H-7,14-methanodipyrido[1,2-a:1',2'-e][1,5]diazocin-2-yl (2E)-2-methylbut-2-enoate
Synonyms  Source
13-(2-Methylcrotonoyl)oxylupanineKEGG COMPOUND
13-(2-Methylcrotonoyl)oxylupinineKEGG COMPOUND
2-oxospartein-13β-yl 2-methylcrotonateChEBI
(+)-13alpha-TigloyloxylupanineKEGG COMPOUND
Manual XrefsDatabases
C04170KEGG COMPOUND
C04170KEGG COMPOUND