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7H-Pyrano[2,3-f]-1,4-benzodioxin-7-one, 3-[4-(acetyloxy)-3-methoxyphenyl]-2-[(acetyloxy)methyl]-8-(3,4-dimethoxyphenyl)-2,3-dihydro-, trans-(.+-.)-

View entire compound with spectra: 1 MS (GC)

7H-Pyrano[2,3-f]-1,4-benzodioxin-7-one, 3-[4-(acetyloxy)-3-methoxyphenyl]-2-[(acetyloxy)methyl]-8-(3,4-dimethoxyphenyl)-2,3-dihydro-, trans-(.+-.)-
SpectraBase Compound ID BJxbjfR3whi
InChI InChI=1S/C31H28O11/c1-16(32)38-15-27-29(19-7-10-23(40-17(2)33)26(13-19)37-5)41-24-11-8-20-28(34)21(14-39-30(20)31(24)42-27)18-6-9-22(35-3)25(12-18)36-4/h6-14,27,29H,15H2,1-5H3/t27-,29-/m1/s1
InChIKey XJZFVWOBQZGTCQ-XRKRLSELSA-N
Mol Weight 576.55 g/mol
Molecular Formula C31H28O11
Exact Mass 576.163162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7OMqSCpvYUf
Name 7H-Pyrano[2,3-f]-1,4-benzodioxin-7-one, 3-[4-(acetyloxy)-3-methoxyphenyl]-2-[(acetyloxy)methyl]-8-(3,4-dimethoxyphenyl)-2,3-dihydro-, trans-(.+-.)-
Alternate Name(s) Di-O-acetyl-3'-O-methylxanthocercin B
CAS Registry Number 116718-17-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H28O11
InChI InChI=1S/C31H28O11/c1-16(32)38-15-27-29(19-7-10-23(40-17(2)33)26(13-19)37-5)41-24-11-8-20-28(34)21(14-39-30(20)31(24)42-27)18-6-9-22(35-3)25(12-18)36-4/h6-14,27,29H,15H2,1-5H3/t27-,29-/m1/s1
InChIKey XJZFVWOBQZGTCQ-XRKRLSELSA-N
Molecular Weight 576.554 g/mol
SMILES C=1(C(c2ccc3O[C@](c4cc(OC)c(cc4)OC(=O)C)([C@](Oc3c2OC1)(COC(=O)C)[H])[H])=O)c1cc(OC)c(cc1)OC
SPLASH splash10-03k9-0932210000-60b1a9da4e421cb7a7d5
Source of Spectrum KC-1988-1240-11
Wiley ID 1408204