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4,9,8',9'-Tetraacetyl-taxuyunin B
SpectraBase Compound ID GPOw4GkOCqf
InChI InChI=1S/C28H32O12/c1-15(29)35-12-21(13-36-16(2)30)20-10-24(34-6)28-25(11-20)39-27(26(40-28)14-37-17(3)31)19-7-8-22(38-18(4)32)23(9-19)33-5/h7-11,21,26-27H,12-14H2,1-6H3/t26-,27-/m0/s1
InChIKey PPRPBCYMEAMKQV-SVBPBHIXSA-N
Mol Weight 560.6 g/mol
Molecular Formula C28H32O12
Exact Mass 560.189376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EXkIGrXhY8
Name 4,9,8',9'-Tetraacetyl-taxuyunin B
Alternate Name(s) 2-((2S,3S)-3-(4-acetoxy-3-methoxyphenyl)-2-(acetoxymethyl)-8-methoxy-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propane-1,3-diyl diacetate
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Formula C28H32O12
InChI InChI=1S/C28H32O12/c1-15(29)35-12-21(13-36-16(2)30)20-10-24(34-6)28-25(11-20)39-27(26(40-28)14-37-17(3)31)19-7-8-22(38-18(4)32)23(9-19)33-5/h7-11,21,26-27H,12-14H2,1-6H3/t26-,27-/m0/s1
InChIKey PPRPBCYMEAMKQV-SVBPBHIXSA-N
Literature Reference DOI 10.1002/cjoc.20030210741
Molecular Weight 560.552 g/mol
SMILES c1(cc(cc2c1O[C@@](COC(C)=O)([C@@](O2)(c1cc(OC)c(OC(C)=O)cc1)[H])[H])C(COC(C)=O)COC(C)=O)OC
SPLASH splash10-0ir1-0341190000-db6a7495a4e9c36dc6e1
Source of Spectrum CJC-21-929-2a
Wiley ID 1773827