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(8.beta.R,8'.beta.R,-7.alpha.S)-(+)-4,4'-dihydroxy-3,3'-dimethoxy-8-hydroxymethyllign-7-9'-lactone
SpectraBase Compound ID ITibBAzhZql
InChI InChI=1S/C20H22O7/c1-25-17-8-11(3-5-15(17)22)7-13-14(10-21)19(27-20(13)24)12-4-6-16(23)18(9-12)26-2/h3-6,8-9,13-14,19,21-23H,7,10H2,1-2H3/t13-,14+,19-/m1/s1
InChIKey BTXZSJTULWTSJG-BIENJYKASA-N
Mol Weight 374.39 g/mol
Molecular Formula C20H22O7
Exact Mass 374.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RFauL6UzY
Name (8.beta.R,8'.beta.R,-7.alpha.S)-(+)-4,4'-dihydroxy-3,3'-dimethoxy-8-hydroxymethyllign-7-9'-lactone
Alternate Name(s) (+)-Isohydroxymatairesinol
Appearance Colorless powde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O7
InChI InChI=1S/C20H22O7/c1-25-17-8-11(3-5-15(17)22)7-13-14(10-21)19(27-20(13)24)12-4-6-16(23)18(9-12)26-2/h3-6,8-9,13-14,19,21-23H,7,10H2,1-2H3/t13-,14+,19-/m1/s1
InChIKey BTXZSJTULWTSJG-BIENJYKASA-N
Instrument Name HP-5890 Series II-5971A
Ionization Type EI
Literature Reference DOI 10.1021/np0340706
Molecular Weight 374.389 g/mol
Optical Rotation [a]D25 = +51.0 (c = 0.005, THF)
Reported Formula C20H22O7
SMILES OC[C@]1([C@](C(O[C@@]1(c1cc(c(cc1)O)OC)[H])=O)(Cc1ccc(c(c1)OC)O)[H])[H]
SPLASH splash10-0fer-0901000000-0da84535ee28cfaff759
Source of Spectrum G4-67-930-2
Wiley ID 1884027