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(2S,3S,4S)-2,3-Epoxy-4-hydroxy-6-(3,7,11-trimethyldodeca-6,10-dienoylamino)cyclohex-5-enone
SpectraBase Compound ID 8CfvNMAdSL
InChI InChI=1S/C21H31NO4/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-18(24)22-16-12-17(23)20-21(26-20)19(16)25/h7,9,12,15,17,20-21,23H,5-6,8,10-11H2,1-4H3,(H,22,24)/b14-9+/t15?,17-,20-,21+/m0/s1
InChIKey NHAHGMYQDIQAAM-CSQCBNHMSA-N
Mol Weight 361.48 g/mol
Molecular Formula C21H31NO4
Exact Mass 361.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrvFc5Z0Ro4
Name (2S,3S,4S)-2,3-Epoxy-4-hydroxy-6-(3,7,11-trimethyldodeca-6,10-dienoylamino)cyclohex-5-enone
Alternate Name(s) (2SR,3SR,4SR)-2,3-Epoxy-4-hydroxy-6-(3,7,11-trimethyldodeca-6,10-dienoylamino)cyclohex-5-enone (6E)-N-[(1S,5S,6S)-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-3,7,11-trimethyl-6,10-dodecadienamide
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Formula C21H31NO4
InChI InChI=1S/C21H31NO4/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-18(24)22-16-12-17(23)20-21(26-20)19(16)25/h7,9,12,15,17,20-21,23H,5-6,8,10-11H2,1-4H3,(H,22,24)/b14-9+/t15?,17-,20-,21+/m0/s1
InChIKey NHAHGMYQDIQAAM-CSQCBNHMSA-N
Molecular Weight 361.482 g/mol
SMILES O[C@@]1([C@]2([C@@](C(C(=C1)NC(=O)CC(CC\C=C\(CCC=C(C)C)C)C)=O)(O2)[H])[H])[H]
SPLASH splash10-0693-5900000000-11115fa87fd40f459a78
Source of Spectrum SO-0-1558-29
Wiley ID 1546063