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CHEBI:36324 - samandarine

ChEBI IDCHEBI:36324
ChEBI Namesamandarine
Stars
Last Modified14 June 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC19H31NO2
Net Charge0
Average Mass305.462
Monoisotopic Mass305.23548
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)C[C@@H](O)C[C@]43[H])[C@@]1(C)[C@@H]1CN[C@H](C2)O1
InChIInChI=1S/C19H31NO2/c1-18-6-5-14-13(15(18)8-12(21)9-18)4-3-11-7-17-20-10-16(22-17)19(11,14)2/h11-17,20-21H,3-10H2,1-2H3/t11-,12+,13-,14+,15+,16+,17+,18-,19+/m1/s1
InChIKeyHJCSQOSWSRPBOU-XTXNWKRWSA-N
ChEBI Ontology
Outgoing Relation(s)
samandarine (CHEBI:36324) is a steroid alkaloid fundamental parent (CHEBI:38516)
IUPAC Name 
samandarine
Synonym  Source
1α,4α-epoxy-3-aza-4a-homo-5β-androstan-16β-olJCBN
Registry NumbersSources
Beilstein:14646Beilstein
CAS:467-51-6ChemIDplus