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7-Acetyl-scorpioidine
SpectraBase Compound ID 5lsxIxiC1eT
InChI InChI=1S/C22H33NO7/c1-7-14(4)20(25)29-15(5)22(27,13(2)3)21(26)28-12-17-8-10-23-11-9-18(19(17)23)30-16(6)24/h7-8,13,15,18-19,27H,9-12H2,1-6H3/b14-7+/t15-,18+,19+,22-/m0/s1
InChIKey YYQUGDOAQAPTLK-PSNPPMOJSA-N
Mol Weight 423.5 g/mol
Molecular Formula C22H33NO7
Exact Mass 423.225702 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5P6L7Ikvst
Name 7-Acetyl-scorpioidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H33NO7
InChI InChI=1S/C22H33NO7/c1-7-14(4)20(25)29-15(5)22(27,13(2)3)21(26)28-12-17-8-10-23-11-9-18(19(17)23)30-16(6)24/h7-8,13,15,18-19,27H,9-12H2,1-6H3/b14-7+/t15-,18+,19+,22-/m0/s1
InChIKey YYQUGDOAQAPTLK-PSNPPMOJSA-N
Molecular Weight 423.506 g/mol
SMILES O[C@@]([C@@](OC(\C(=C\C)C)=O)(C)[H])(C(OCC=1[C@]2(N(CC[C@]2(OC(=O)C)[H])CC1)[H])=O)C(C)C
SPLASH splash10-001l-9800000000-26482ee5aaf3aebb6382
Source of Spectrum X2-45-361-1
Synonyms (2S)-2-hydroxy-3-methyl-2-[(1S)-1-[(E)-2-methyl-1-oxobut-2-enoxy]ethyl]butanoic acid [(7R,8R)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester [(7R,8R)-7-acetyloxy-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-acetoxy-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-acetyloxy-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
Wiley ID 1600992