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2H-1-Benzopyran-3-ol, 3,4-dihydro-4,7-dimethoxy-2-(4-methoxyphenyl)-, (2.alpha.,3.alpha.,4.beta.)-(.+-.)-
SpectraBase Compound ID 1QwPeNask0N
InChI InChI=1S/C18H20O5/c1-20-12-6-4-11(5-7-12)17-16(19)18(22-3)14-9-8-13(21-2)10-15(14)23-17/h4-10,16-19H,1-3H3/t16-,17+,18-/m1/s1
InChIKey CEGVFLJPUDYQEN-FGTMMUONSA-N
Mol Weight 316.35 g/mol
Molecular Formula C18H20O5
Exact Mass 316.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BRIunkmfZ9
Name 2H-1-Benzopyran-3-ol, 3,4-dihydro-4,7-dimethoxy-2-(4-methoxyphenyl)-, (2.alpha.,3.alpha.,4.beta.)-(.+-.)-
CAS Registry Number 89840-19-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O5
InChI InChI=1S/C18H20O5/c1-20-12-6-4-11(5-7-12)17-16(19)18(22-3)14-9-8-13(21-2)10-15(14)23-17/h4-10,16-19H,1-3H3/t16-,17+,18-/m1/s1
InChIKey CEGVFLJPUDYQEN-FGTMMUONSA-N
Molecular Weight 316.353 g/mol
SMILES O[C@@]1([C@@](Oc2c(ccc(c2)OC)[C@]1(OC)[H])(c1ccc(cc1)OC)[H])[H]
SPLASH splash10-014i-0900000000-43e56527bc2b0fd22ca2
Source of Spectrum KC-1983-2911-0
Synonyms (2S,3S,4R)-4,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-ol 2,3-cis-3,4-trans-4,4',7-trimethoxyflavan-3-ol
Wiley ID 1316783