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CHEBI:211773 - Pyrrospirone D

ChEBI IDCHEBI:211773
ChEBI NamePyrrospirone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H43NO5
Net Charge0
Average Mass533.709
Monoisotopic Mass533.31412
SMILESCO[C@]12Cc3ccc(cc3)O[C@H]3[C@@H]4[C@H]5C(=O)[C@](C[C@H](O)[C@@]5(C)C=C(C)[C@H]4[C@]4(C)C[C@H](C)C[C@H](C)[C@@H]34)(C1)C(=O)N2
InChIInChI=1S/C33H43NO5/c1-17-11-18(2)25-27-23-24(31(25,5)12-17)19(3)13-30(4)22(35)15-32(28(36)26(23)30)16-33(38-6,34-29(32)37)14-20-7-9-21(39-27)10-8-20/h7-10,13,17-18,22-27,35H,11-12,14-16H2,1-6H3,(H,34,37)/t17-,18+,22+,23+,24-,25+,26+,27+,30-,31+,32+,33-/m1/s1
InChIKeyZQWRYWUCSVPDSS-LYERDLQISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tet.2018.01.015)
ChEBI Ontology
Outgoing Relation(s)
Pyrrospirone D (CHEBI:211773) is a prostanoid (CHEBI:26347)
IUPAC Name 
(1S,3S,4S,7S,8S,10R,12S,13R,14S,21R,25R,26S)-3-hydroxy-21-methoxy-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
64835248ChemSpider