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CHEBI:217411 - Aspermeroterpene B

ChEBI IDCHEBI:217411
ChEBI NameAspermeroterpene B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O10
Net Charge0
Average Mass528.554
Monoisotopic Mass528.19955
SMILESC=C1[C@@H](OC(C)=O)[C@@H]2[C@](C)(C(=O)C(O)=C3C(C)(C)C(=O)C=C[C@]32C)[C@]2(C(=O)OC)C(=O)[C@@H](C)OC(=O)[C@]12C
InChIInChI=1S/C28H32O10/c1-12-17(38-14(3)29)19-25(6)11-10-15(30)24(4,5)18(25)16(31)21(33)27(19,8)28(23(35)36-9)20(32)13(2)37-22(34)26(12,28)7/h10-11,13,17,19,31H,1H2,2-9H3/t13-,17-,19+,25-,26+,27-,28+/m1/s1
InChIKeyCDQXYTLYCDABPX-FYGPHMSISA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32037840)
ChEBI Ontology
Outgoing Relation(s)
Aspermeroterpene B (CHEBI:217411) is a steroid lactone (CHEBI:26766)
IUPAC Name 
methyl (3R,4aR,4bS,10aS,10bS,11S,12aR)-11-acetyloxy-6-hydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,8-tetraoxo-10b,11-dihydronaphtho[2,1-]isochromene-4a-carboxylate
Manual XrefsDatabases
81369077ChemSpider