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7H-Pyrano[2,3-f]-1,4-benzodioxin-7-one, 3,8-bis(3,4-dimethoxyphenyl)-2,3-dihydro-2-(hydroxymethyl)-, trans-(.+-.)-
SpectraBase Compound ID DAq7hLgNoMQ
InChI InChI=1S/C28H26O9/c1-31-19-8-5-15(11-22(19)33-3)18-14-35-27-17(25(18)30)7-10-21-28(27)37-24(13-29)26(36-21)16-6-9-20(32-2)23(12-16)34-4/h5-12,14,24,26,29H,13H2,1-4H3/t24-,26-/m1/s1
InChIKey MYABUOJSNVLJLD-AOYPEHQESA-N
Mol Weight 506.51 g/mol
Molecular Formula C28H26O9
Exact Mass 506.157682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1fX7NAGDth
Name 7H-Pyrano[2,3-f]-1,4-benzodioxin-7-one, 3,8-bis(3,4-dimethoxyphenyl)-2,3-dihydro-2-(hydroxymethyl)-, trans-(.+-.)-
Alternate Name(s) (2R,3R)-3,8-bis(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-7H-[1,4]dioxino[2,3-h]chromen-7-one 3',4''-di-O-methylxanthocercin B
CAS Registry Number 116718-14-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H26O9
InChI InChI=1S/C28H26O9/c1-31-19-8-5-15(11-22(19)33-3)18-14-35-27-17(25(18)30)7-10-21-28(27)37-24(13-29)26(36-21)16-6-9-20(32-2)23(12-16)34-4/h5-12,14,24,26,29H,13H2,1-4H3/t24-,26-/m1/s1
InChIKey MYABUOJSNVLJLD-AOYPEHQESA-N
Molecular Weight 506.507 g/mol
SMILES OC[C@]1(Oc2c3OC=C(C(c3ccc2O[C@@]1(c1cc(OC)c(cc1)OC)[H])=O)c1cc(OC)c(cc1)OC)[H]
SPLASH splash10-0pbc-0900030000-a3cc435e2c7496c3c48e
Source of Spectrum KC-1988-1240-10
Wiley ID 1399847