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CHEBI:203524 - Sulpinine B

ChEBI IDCHEBI:203524
ChEBI NameSulpinine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H41NO3
Net Charge0
Average Mass487.684
Monoisotopic Mass487.30864
SMILESC=CC(C)(C)c1ccc2c3c(nc2c1)[C@@]1(C)[C@@H](CC[C@@]2(O)C4=C[C@@H](O)[C@@H](C(=C)C)O[C@H]4CC[C@@]21C)C3
InChIInChI=1S/C32H41NO3/c1-8-29(4,5)19-9-10-21-22-15-20-11-14-32(35)23-17-25(34)27(18(2)3)36-26(23)12-13-30(32,6)31(20,7)28(22)33-24(21)16-19/h8-10,16-17,20,25-27,33-35H,1-2,11-15H2,3-7H3/t20-,25+,26-,27+,30+,31+,32+/m0/s1
InChIKeyXPYLFGPDHCCOLE-IDNFIPLESA-N
Species of MetaboliteComponentSourceComments
Aspergillus sulphureus (ncbitaxon:138284) - DOI (10.1021/jo00033a030)
ChEBI Ontology
Outgoing Relation(s)
Sulpinine B (CHEBI:203524) is a organic heterotricyclic compound (CHEBI:26979)
Sulpinine B (CHEBI:203524) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,5S,7R,8R,11S,14S)-1,2-dimethyl-20-(2-methylbut-3-en-2-yl)-7-prop-1-en-2-yl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17(22),18,20-pentaene-8,11-diol
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10256272ChemSpider