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2-Acetoxy-6-(methoxycarbonylmethyl)-3-(3,7,11,15-tetramethyleicos-2,6,10,14-tetraen-1-yl)-7,8-diazabicyclo[4.3.0]nonan-5-one
SpectraBase Compound ID 5SWiT4kCx6b
InChI InChI=1S/C32H48N2O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-23-29(36)32(24-30(37)38-3)28(25-33-34-32)31(27)39-26(2)35/h8-9,12-13,16-17,20-21,27-28,31H,4-7,10-11,14-15,18-19,22-25H2,1-3H3/b9-8+,13-12+,17-16+,21-20+
InChIKey OJMYNRJLBWPDSH-NDKHRYSKSA-N
Mol Weight 540.7 g/mol
Molecular Formula C32H48N2O5
Exact Mass 540.356323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDZQmqTy7bP
Name 2-Acetoxy-6-(methoxycarbonylmethyl)-3-(3,7,11,15-tetramethyleicos-2,6,10,14-tetraen-1-yl)-7,8-diazabicyclo[4.3.0]nonan-5-one
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Formula C32H48N2O5
InChI InChI=1S/C32H48N2O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-23-29(36)32(24-30(37)38-3)28(25-33-34-32)31(27)39-26(2)35/h8-9,12-13,16-17,20-21,27-28,31H,4-7,10-11,14-15,18-19,22-25H2,1-3H3/b9-8+,13-12+,17-16+,21-20+
InChIKey OJMYNRJLBWPDSH-NDKHRYSKSA-N
Molecular Weight 540.745 g/mol
SMILES C12(C(C(OC(=O)C)C(CC2=O)C\C=C\CC\C=C\CC\C=C\CC\C=C\CCCCC)CN=N1)CC(=O)OC
SPLASH splash10-001j-0900000000-99d8b9b104f8d302afd2
Source of Spectrum F-49-9283-5
Synonyms 2-Acetoxy-6-(methoxycarbonylmethyl)-3-(eicos-2,6,10,14-tetraen-1-yl)-7,8-diazabicyclo[4.3.0]non-7-ene-5-one
Wiley ID 788424