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MARCHANTIN-A
SpectraBase Compound ID KEBRiCulOjR
InChI InChI=1S/C28H24O5/c29-24-6-2-4-21-12-9-18-10-13-22(14-11-18)32-26-17-20(16-25(30)27(26)31)8-7-19-3-1-5-23(15-19)33-28(21)24/h1-6,10-11,13-17,29-31H,7-9,12H2
InChIKey LLMFFOXSSQHNFR-UHFFFAOYSA-N
Mol Weight 440.5 g/mol
Molecular Formula C28H24O5
Exact Mass 440.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVy1PvYWqJD
Name 2,7-Dioxa-1(1,2),3,6(1,3),8(1,4)-tetrabenzenacyclodecaphane-1(6),6(4),6(5)-triol
Alternate Name(s) 2,15-Dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10,12,14(29),16,18,20,24,27-dodecaene-4,5,17-triol
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Formula C28H24O5
InChI InChI=1S/C28H24O5/c29-24-6-2-4-21-12-9-18-10-13-22(14-11-18)32-26-17-20(16-25(30)27(26)31)8-7-19-3-1-5-23(15-19)33-28(21)24/h1-6,10-11,13-17,29-31H,7-9,12H2
InChIKey LLMFFOXSSQHNFR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.2972
Molecular Weight 440.495 g/mol
SMILES Oc1cccc2c1Oc1cc(CCc3cc(c(c(c3)O)O)Oc3ccc(CC2)cc3)ccc1
SPLASH splash10-0006-0040900000-2943472509332f6a76b3
Source of Spectrum RCM-21-1372-3
Wiley ID 1820621