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CHEBI:226954 - 10-O-acetylsclerotiamide

ChEBI IDCHEBI:226954
ChEBI Name10-O-acetylsclerotiamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H29N3O7
Net Charge0
Average Mass519.554
Monoisotopic Mass519.20055
SMILESCC(=O)O[C@@H]1[C@@]23NC(=O)[C@]4(CCCN4C2=O)C(=O)[C@H]3C(C)(C)[C@]12C(=O)Nc1c2ccc2c1C=CC(C)(C)O2
InChIInChI=1S/C28H29N3O7/c1-13(32)37-20-27(15-7-8-16-14(17(15)29-22(27)35)9-11-24(2,3)38-16)25(4,5)18-19(33)26-10-6-12-31(26)23(36)28(18,20)30-21(26)34/h7-9,11,18,20H,6,10,12H2,1-5H3,(H,29,35)(H,30,34)/t18-,20-,26-,27-,28+/m0/s1
InChIKeyQHMNOBGUOFGOBV-HIKJQHPCSA-N
ChEBI Ontology
Outgoing Relation(s)
10-O-acetylsclerotiamide (CHEBI:226954) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
[(1'R,3R,7'S,9'S,12'S)-7,7,10',10'-tetramethyl-2,2',8',14'-tetraoxospiro[1H-pyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-12'-yl] acetate