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2-Butenoic acid, 2-methyl-, 6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, [1.alpha.,3.beta.(E),5.alpha.,6.alpha.,7.alpha.]-
SpectraBase Compound ID A6SANoGPRpt
InChI InChI=1S/C13H21NO4/c1-4-7(2)13(17)18-8-5-9-11(15)12(16)10(6-8)14(9)3/h4,8-12,15-16H,5-6H2,1-3H3/b7-4+/t8-,9+,10-,11-,12+
InChIKey YZFJTFVPCWEPND-ZGDHUFOBSA-N
Mol Weight 255.31 g/mol
Molecular Formula C13H21NO4
Exact Mass 255.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cb4uTzU09jI
Name 2-Butenoic acid, 2-methyl-, 6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, [1.alpha.,3.beta.(E),5.alpha.,6.alpha.,7.alpha.]-
CAS Registry Number 526-13-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO4
InChI InChI=1S/C13H21NO4/c1-4-7(2)13(17)18-8-5-9-11(15)12(16)10(6-8)14(9)3/h4,8-12,15-16H,5-6H2,1-3H3/b7-4+/t8-,9+,10-,11-,12+
InChIKey YZFJTFVPCWEPND-ZGDHUFOBSA-N
Molecular Weight 255.314 g/mol
SMILES O[C@@]1([C@]2(N([C@@]([C@@]1(O)[H])(C[C@](C2)(OC(\C(=C\C)C)=O)[H])[H])C)[H])[H]
SPLASH splash10-0007-9100000000-aefcf0668fff1f7821c1
Source of Spectrum B-31-1164-0
Synonyms Meteloidine 1.alpha.H,5.alpha.H-Tropane-3.alpha.,6.beta.,7.beta.-triol, 3-(2-methylcrotonate), (E)- Meteloidin Teloidine, 3-tiglate
Wiley ID 1258743