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Scorpioidine

View entire compound with spectra: 1 MS (GC)

Scorpioidine
SpectraBase Compound ID Ffy9B1KHR8R
InChI InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-14(5)20(25,12(2)3)19(24)26-11-15-7-9-21-10-8-16(22)17(15)21/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-/m0/s1
InChIKey XDYWDZKXDBKDDT-SMLWLWDZSA-N
Mol Weight 381.47 g/mol
Molecular Formula C20H31NO6
Exact Mass 381.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KftZ2PhIUhT
Name Scorpioidine
Alternate Name(s) (2S)-2-hydroxy-3-methyl-2-[(1S)-1-[(E)-2-methyl-1-oxobut-2-enoxy]ethyl]butanoic acid [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-3-methyl-2-[(1S)-1-[(E)-2-methylbut-2-enoyl]oxyethyl]butanoate [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S,3S)-2-hydroxy-2-isopropyl-3-[(E)-2-methylbut-2-enoyl]oxy-butanoate [(7R,8R)-7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-3-methyl-2-[(1S)-1-[(E)-2-methylbut-2-enoyl]oxyethyl]-2-oxidanyl-butanoate
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Formula C20H31NO6
InChI InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-14(5)20(25,12(2)3)19(24)26-11-15-7-9-21-10-8-16(22)17(15)21/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-/m0/s1
InChIKey XDYWDZKXDBKDDT-SMLWLWDZSA-N
Molecular Weight 381.469 g/mol
SMILES O[C@@]1(CCN2[C@@]1(C(COC([C@@]([C@@](OC(\C(=C\C)C)=O)(C)[H])(C(C)C)O)=O)=CC2)[H])[H]
SPLASH splash10-001c-9600000000-e6a8e8882919d50ab6ab
Source of Spectrum X2-45-361-2
Wiley ID 1600991