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7H-Pyrano[2,3-f]-1,4-benzodioxin-7-one, 8-[3-(acetyloxy)-4-methoxyphenyl]-3-[4-(acetyloxy)-3-methoxyphenyl]-2-[(acetyloxy)methyl]-2,3-dihydro-, trans-(.+-.)-
SpectraBase Compound ID CVXxvUw1I1F
InChI InChI=1S/C32H28O12/c1-16(33)39-15-28-30(20-7-10-24(41-17(2)34)26(13-20)38-5)43-25-11-8-21-29(36)22(14-40-31(21)32(25)44-28)19-6-9-23(37-4)27(12-19)42-18(3)35/h6-14,28,30H,15H2,1-5H3/t28-,30-/m1/s1
InChIKey RTOCHFSXIVWEHE-PQHLKRTFSA-N
Mol Weight 604.6 g/mol
Molecular Formula C32H28O12
Exact Mass 604.158076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DddmdJ5Ipi1
Name 7H-Pyrano[2,3-f]-1,4-benzodioxin-7-one, 8-[3-(acetyloxy)-4-methoxyphenyl]-3-[4-(acetyloxy)-3-methoxyphenyl]-2-[(acetyloxy)methyl]-2,3-dihydro-, trans-(.+-.)-
CAS Registry Number 116718-13-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H28O12
InChI InChI=1S/C32H28O12/c1-16(33)39-15-28-30(20-7-10-24(41-17(2)34)26(13-20)38-5)43-25-11-8-21-29(36)22(14-40-31(21)32(25)44-28)19-6-9-23(37-4)27(12-19)42-18(3)35/h6-14,28,30H,15H2,1-5H3/t28-,30-/m1/s1
InChIKey RTOCHFSXIVWEHE-PQHLKRTFSA-N
Molecular Weight 604.564 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(=O)C)c(cc1)OC
SPLASH splash10-0ir0-0772394000-9be4927cac4a238db2e4
Source of Spectrum KC-1988-1240-4
Synonyms Tri-O-acetylxanthocercin {(2R,3R)-8-[3-(acetyloxy)-4-methoxyphenyl]-3-[4-(acetyloxy)-3-methoxyphenyl]-7-oxo-2,3-dihydro-7H-[1,4]dioxino[2,3-h]chromen-2-yl}methyl acetate
Wiley ID 1410458