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CHEBI:201807 - Sulpinine A

ChEBI IDCHEBI:201807
ChEBI NameSulpinine A
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FormulaC32H41NO4
Net Charge0
Average Mass503.683
Monoisotopic Mass503.30356
SMILESC=CC(C)(C)c1ccc2c3c(nc2c1)[C@@]1(C)[C@@H](CC[C@@]2(O)[C@@]45O[C@@H]4[C@@H](O)[C@@H](C(=C)C)O[C@H]5CC[C@@]21C)C3
InChIInChI=1S/C32H41NO4/c1-8-28(4,5)18-9-10-20-21-15-19-11-14-31(35)29(6,30(19,7)26(21)33-22(20)16-18)13-12-23-32(31)27(37-32)24(34)25(36-23)17(2)3/h8-10,16,19,23-25,27,33-35H,1-2,11-15H2,3-7H3/t19-,23-,24-,25+,27+,29+,30+,31-,32-/m0/s1
InChIKeyODWUQCILJXNGFR-CXUSTFBLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus sulphureus (ncbitaxon:138284) - DOI (10.1021/jo00033a030)
ChEBI Ontology
Outgoing Relation(s)
Sulpinine A (CHEBI:201807) is a organic heterotricyclic compound (CHEBI:26979)
Sulpinine A (CHEBI:201807) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,5S,7R,8S,9R,11S,12S,15S)-1,2-dimethyl-21-(2-methylbut-3-en-2-yl)-7-prop-1-en-2-yl-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18(23),19,21-tetraene-8,12-diol
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