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(-)-3-O-acetylcassine
SpectraBase Compound ID KIC5qrtMzkR
InChI InChI=1S/C20H37NO3/c1-16(22)12-10-8-6-4-5-7-9-11-13-19-14-15-20(17(2)21-19)24-18(3)23/h17,19-21H,4-15H2,1-3H3/t17-,19+,20-/m1/s1
InChIKey AACOWOOKWQCRBQ-YZGWKJHDSA-N
Mol Weight 339.5 g/mol
Molecular Formula C20H37NO3
Exact Mass 339.277344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1YqSwms74j
Name (-)-3-O-acetylcassine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H37NO3
InChI InChI=1S/C20H37NO3/c1-16(22)12-10-8-6-4-5-7-9-11-13-19-14-15-20(17(2)21-19)24-18(3)23/h17,19-21H,4-15H2,1-3H3/t17-,19+,20-/m1/s1
InChIKey AACOWOOKWQCRBQ-YZGWKJHDSA-N
Literature Reference DOI 10.1002/rcm.8172
Molecular Weight 339.520 g/mol
SMILES N1[C@@]([C@@](CC[C@@]1(CCCCCCCCCCC(=O)C)[H])(OC(=O)C)[H])(C)[H]
SPLASH splash10-0a4m-9530000000-68a6b2eeffb233320edc
Source of Spectrum RCM-32-SM20-3
Synonyms (2R,3R,6S)-2-methyl-6-(11-oxododecyl)piperidin-3-yl acetate
Wiley ID 1813841