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CHEBI:221938 - Diaporthalasin

ChEBI IDCHEBI:221938
ChEBI NameDiaporthalasin
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FormulaC32H39NO3
Net Charge0
Average Mass485.668
Monoisotopic Mass485.29299
SMILESCC1=C[C@]2(C)[C@@H]3C(C)=C[C@]4(C)C[C@H](C)CC[C@H]4[C@@H]3C(=O)[C@@]23C(=O)NC(Cc2ccc(O)cc2)=C3[C@@H]1C
InChIInChI=1S/C32H39NO3/c1-17-7-12-23-25-26(19(3)15-30(23,5)14-17)31(6)16-18(2)20(4)27-24(13-21-8-10-22(34)11-9-21)33-29(36)32(27,31)28(25)35/h8-11,15-17,20,23,25-26,34H,7,12-14H2,1-6H3,(H,33,36)/t17-,20-,23+,25+,26-,30+,31-,32+/m1/s1
InChIKeyXQLVDKRUFAHKFR-XUGYFLAHSA-N
ChEBI Ontology
Outgoing Relation(s)
Diaporthalasin (CHEBI:221938) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,2R,5R,10R,12S,13S,16R,18R)-7-[(4-hydroxyphenyl)methyl]-2,4,5,16,18,20-hexamethyl-8-azapentacyclo[10.8.0.02,10.06,10.013,18]icosa-3,6,19-triene-9,11-dione
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