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CHEBI:211779 - Pyrrospirone E

ChEBI IDCHEBI:211779
ChEBI NamePyrrospirone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H41NO5
Net Charge0
Average Mass519.682
Monoisotopic Mass519.29847
SMILESCC1=C[C@]2(C)[C@H](O)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/C32H41NO5/c1-16-10-17(2)24-26-22-23(30(24,5)11-16)18(3)12-29(4)21(34)14-31(27(35)25(22)29)15-32(37,33-28(31)36)13-19-6-8-20(38-26)9-7-19/h6-9,12,16-17,21-26,34,37H,10-11,13-15H2,1-5H3,(H,33,36)/t16-,17+,21-,22+,23-,24+,25+,26+,29-,30+,31+,32-/m1/s1
InChIKeyOZCVEXIHCIYUCZ-LVFIZYTASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tet.2018.01.015)
ChEBI Ontology
Outgoing Relation(s)
Pyrrospirone E (CHEBI:211779) is a prostanoid (CHEBI:26347)
IUPAC Name 
(1S,3R,4S,7S,8S,10R,12S,13R,14S,21R,25R,26S)-3,21-dihydroxy-4,6,8,10,12-pentamethyl-15-oxa-22-azaheptacyclo[12.9.3.216,19.11,21.04,25.07,26.08,13]nonacosa-5,16,18,28-tetraene-23,24-dione
Manual XrefsDatabases
64835249ChemSpider