CHEBI:6088 - Jervine

ChEBI IDCHEBI:6088
ChEBI NameJervine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H39NO3
Net Charge0
Average Mass425.613
Monoisotopic Mass425.29299
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])C(=O)C1=C(C)[C@]3(CC[C@]12[H])O[C@]1([H])C[C@H](C)CN[C@@]1([H])[C@H]3C
InChIInChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1
InChIKeyCLEXYFLHGFJONT-DNMILWOZSA-N
ChEBI Ontology
Outgoing Relation(s)
Jervine (CHEBI:6088) is a piperidines (CHEBI:26151)
Synonym  Source
JervineKEGG COMPOUND
Manual XrefsDatabases
C10811KEGG COMPOUND
C00002253KNApSAcK
Registry NumbersSources
CAS:469-59-0KEGG COMPOUND