EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:180993 - Teraspiridole A_130090

ChEBI IDCHEBI:180993
ChEBI NameTeraspiridole A_130090
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H42N2O6
Net Charge0
Average Mass562.707
Monoisotopic Mass562.30429
SMILESCC(=O)OC1CC2C(C)(C)OC(=O)C=CC2(C)C2CCC3(C)OC4(CC3C12C)c1ccccc1N1C(=O)C(C)NC14
InChIInChI=1S/C33H42N2O6/c1-18-27(38)35-21-11-9-8-10-20(21)33(28(35)34-18)17-24-31(6,41-33)15-12-22-30(5)14-13-26(37)40-29(3,4)23(30)16-25(32(22,24)7)39-19(2)36/h8-11,13-14,18,22-25,28,34H,12,15-17H2,1-7H3
InChIKeyVMDRKPOWEASMAD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Teraspiridole A_130090 (CHEBI:180993) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(2',3b,6,6,10a,12a-hexamethyl-1',8-dioxospiro[3,3a,4,5,5a,10b,11,12-octahydro-[1]benzouro[5,4-g][2]benzoxepine-2,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-4-yl) acetate