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MARCHANTIN-H
SpectraBase Compound ID 7Dlg5KfeGsP
InChI InChI=1S/C28H24O5/c29-24-14-9-20-5-4-19-2-1-3-23(16-19)33-28-21(11-15-25(30)27(28)31)10-6-18-7-12-22(13-8-18)32-26(24)17-20/h1-3,7-9,11-17,29-31H,4-6,10H2
InChIKey BVVNNKLMNVFVGS-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 KfyN9Pgun3c
Name 2,7-Dioxa-1(1,2),3,6(1,3),8(1,4)-tetrabenzenacyclodecaphane-1(5),1(6),6(4)-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-4,17,18-triol
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Formula C28H24O5
InChI InChI=1S/C28H24O5/c29-24-14-9-20-5-4-19-2-1-3-23(16-19)33-28-21(11-15-25(30)27(28)31)10-6-18-7-12-22(13-8-18)32-26(24)17-20/h1-3,7-9,11-17,29-31H,4-6,10H2
InChIKey BVVNNKLMNVFVGS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.2972
Molecular Weight 440.495 g/mol
SMILES Oc1ccc2c(c1O)Oc1cc(CCc3cc(Oc4ccc(CC2)cc4)c(cc3)O)ccc1
SPLASH splash10-01ox-0170900000-9143a203de76f7a8d9a7
Source of Spectrum RCM-21-1372-5
Wiley ID 1820623