CHEBI:9114 - Septentrionine

ChEBI IDCHEBI:9114
ChEBI NameSeptentrionine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC38H54N2O11
Net Charge0
Average Mass714.853
Monoisotopic Mass714.37276
SMILES[H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](OC)(C[C@@H]2OC)[C@]1(O)C2N(CC)C[C@]4(COC(=O)c5ccccc5NC(=O)CCC(=O)OC)CC[C@H](OC)[C@@]23[C@]4([H])[C@@H]1OC
InChIInChI=1S/C38H54N2O11/c1-8-40-19-35(20-51-33(43)21-11-9-10-12-24(21)39-27(41)13-14-28(42)47-4)16-15-26(46-3)37-23-17-22-25(45-2)18-36(50-7,29(23)30(22)48-5)38(44,34(37)40)32(49-6)31(35)37/h9-12,22-23,25-26,29-32,34,44H,8,13-20H2,1-7H3,(H,39,41)/t22-,23-,25+,26+,29-,30+,31-,32+,34?,35+,36-,37+,38-/m1/s1
InChIKeyPXDSODACKDGKHO-MOEGOFPBSA-N
ChEBI Ontology
Outgoing Relation(s)
Septentrionine (CHEBI:9114) is a diterpenoid (CHEBI:23849)
Synonym  Source
SeptentrionineKEGG COMPOUND
Manual XrefsDatabases
C08706KEGG COMPOUND
C00001662KNApSAcK
Registry NumbersSources
CAS:70553-63-8KEGG COMPOUND