Spectrum Details
MiMe ID:MMDBc0022721
Compound Name:24-epi-6β,16β-diacetoxy-25-hydroxy-3,7-dioxo-29-nordammara-1,17(20)-diene-21,24-lactone
Derivative IUPAC Name:(2S,3aS,3bS,5aS,6S,9aR,9bS,11aR)-5-(acetyloxy)-1-[(6S)-6-(2-hydroxypropan-2-yl)-2-oxooxan-3-ylidene]-3a,3b,6,9a-tetramethyl-7-oxo-4-[(trimethylsilyl)oxy]-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl acetate
Derivative SMILES:CC(=O)OC1=C(O[Si](C)(C)C)[C@@]2(C)[C@@H](CC[C@H]3C(=C4CC[C@@H](C(C)(C)O)OC4=O)[C@@H](OC(C)=O)C[C@@]32C)[C@@]2(C)CCC(=O)[C@@H](C)[C@H]12
Derivative InChIKey:InChIKey=GCEXPOOPWYOVIB-LIEBZFIHSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive
Splash Key:Not Available
Notes:This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification.
Spectrum View
Experimental Conditions
Ionization Mode:Positive
Ionization Energy:70 eV
Chromatography Type:Gas Chromatography Column (GC)
Instrument Type:Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution:0.0001 Da
Molecular Formula:C33H46O9
Molecular Weight (Monoisotopic Mass):586.3142 Da
Derivative Type:TMS_1_3
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file781 Bytes
mzML formatted file (MZML)Download file4.63 KB
References