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CHEBI:204666 - Sulpinine C

ChEBI IDCHEBI:204666
ChEBI NameSulpinine C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H41NO6
Net Charge0
Average Mass535.681
Monoisotopic Mass535.29339
SMILESC=CC(C)(C)c1ccc2c(c1)NC(=O)[C@@]1(C)[C@@H](CC[C@@]3(O)[C@@]45O[C@@H]4[C@@H](O)[C@@H](C(=C)C)O[C@H]5CC[C@@]31C)CC2=O
InChIInChI=1S/C32H41NO6/c1-8-28(4,5)18-9-10-20-21(15-18)33-27(36)30(7)19(16-22(20)34)11-14-31(37)29(30,6)13-12-23-32(31)26(39-32)24(35)25(38-23)17(2)3/h8-10,15,19,23-26,35,37H,1-2,11-14,16H2,3-7H3,(H,33,36)/t19-,23-,24-,25+,26+,29+,30+,31-,32-/m0/s1
InChIKeyVOYIMRFVBGSBTG-SBRCDQMXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus sulphureus (ncbitaxon:138284) - DOI (10.1021/jo00033a030)
ChEBI Ontology
Outgoing Relation(s)
Sulpinine C (CHEBI:204666) is a organic heterotricyclic compound (CHEBI:26979)
Sulpinine C (CHEBI:204666) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,5S,7R,8S,9R,11S,12S,15S)-8,12-dihydroxy-1,2-dimethyl-21-(2-methylbut-3-en-2-yl)-7-prop-1-en-2-yl-6,10-dioxa-24-azahexacyclo[13.10.0.02,12.05,11.09,11.018,23]pentacosa-18(23),19,21-triene-17,25-dione
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10256274ChemSpider