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2H-Pyran-2-one, 6-[2-(1,3-benzodioxol-5-yl)ethyl]-5,6-dihydro-4,5-dimethoxy-, (5S-trans)-
SpectraBase Compound ID Ltlvgaqnlmr
InChI InChI=1S/C16H18O6/c1-18-14-8-15(17)22-12(16(14)19-2)6-4-10-3-5-11-13(7-10)21-9-20-11/h3,5,7-8,12,16H,4,6,9H2,1-2H3/t12-,16-/m0/s1
InChIKey IOKCKBNEHOEZSZ-LRDDRELGSA-N
Mol Weight 306.31 g/mol
Molecular Formula C16H18O6
Exact Mass 306.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ykPnkYxjaL
Name 2H-Pyran-2-one, 6-[2-(1,3-benzodioxol-5-yl)ethyl]-5,6-dihydro-4,5-dimethoxy-, (5S-trans)-
CAS Registry Number 52526-02-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O6
InChI InChI=1S/C16H18O6/c1-18-14-8-15(17)22-12(16(14)19-2)6-4-10-3-5-11-13(7-10)21-9-20-11/h3,5,7-8,12,16H,4,6,9H2,1-2H3/t12-,16-/m0/s1
InChIKey IOKCKBNEHOEZSZ-LRDDRELGSA-N
Molecular Weight 306.314 g/mol
SMILES C1=C([C@@](OC)([C@@](OC1=O)(CCc1cc2OCOc2cc1)[H])[H])OC
SPLASH splash10-000i-1900000000-9a8bcd5c062ddfe52bda
Source of Spectrum K-106-3126-994
Synonyms (5S,6S)-6-[2-(1,3-benzodioxol-5-yl)ethyl]-4,5-dimethoxy-5,6-dihydro-2H-pyran-2-one 5,6-trans-5-methoxy-7,8-dihydromethysticin
Wiley ID 1307920