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CHEBI:211799 - Pyrrospirone I

ChEBI IDCHEBI:211799
ChEBI NamePyrrospirone I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H39NO4
Net Charge0
Average Mass501.667
Monoisotopic Mass501.28791
SMILESCC1=C[C@]2(C)C=C[C@]34C[C@](O)(Cc5ccc(cc5)O[C@H]5[C@H]([C@H]2C3=O)[C@@H]1[C@]1(C)C[C@H](C)C[C@H](C)[C@@H]51)NC4=O
InChIInChI=1S/C32H39NO4/c1-17-12-18(2)24-26-22-23(30(24,5)13-17)19(3)14-29(4)10-11-31(27(34)25(22)29)16-32(36,33-28(31)35)15-20-6-8-21(37-26)9-7-20/h6-11,14,17-18,22-26,36H,12-13,15-16H2,1-5H3,(H,33,35)/t17-,18+,22+,23-,24+,25+,26+,29+,30+,31+,32-/m1/s1
InChIKeySELHCSAKGVTRBZ-ZOUKQTFFSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tet.2018.01.015)
ChEBI Ontology
Outgoing Relation(s)
Pyrrospirone I (CHEBI:211799) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(1R,4S,7S,8S,10R,12S,13R,14S,21R,25R,26S)-21-hydroxy-4,6,8,10,12-pentamethyl-15-oxa-22-azaheptacyclo[12.9.3.216,19.11,21.04,25.07,26.08,13]nonacosa-2,5,16,18,28-pentaene-23,24-dione
Manual XrefsDatabases
64835253ChemSpider