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Riccarin C triacetate
SpectraBase Compound ID 4yai4zBb8SU
InChI InChI=1S/C34H30O7/c1-21(35)38-29-14-16-30-27(20-29)11-6-24-7-12-28(13-8-24)41-34-19-26(10-17-32(34)39-22(2)36)5-4-25-9-15-31(30)33(18-25)40-23(3)37/h7-10,12-20H,4-6,11H2,1-3H3
InChIKey VGMFGMGIBWAYCJ-UHFFFAOYSA-N
Mol Weight 550.6 g/mol
Molecular Formula C34H30O7
Exact Mass 550.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fL3yXZN9Yy
Name Riccarin C triacetate
Alternate Name(s) 16,24-bis(acetyloxy)-14-oxapentacyclo[20.2.2.2(10,13).1(15,19).0(2,7)]nonacosa-1(24),2,4,6,10,12,15(29),16,18,22,25,27-dodecaen-5-yl acetate
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Formula C34H30O7
InChI InChI=1S/C34H30O7/c1-21(35)38-29-14-16-30-27(20-29)11-6-24-7-12-28(13-8-24)41-34-19-26(10-17-32(34)39-22(2)36)5-4-25-9-15-31(30)33(18-25)40-23(3)37/h7-10,12-20H,4-6,11H2,1-3H3
InChIKey VGMFGMGIBWAYCJ-UHFFFAOYSA-N
Molecular Weight 550.607 g/mol
SMILES c-12c(OC(=O)C)cc(cc2)CCc2cc(Oc3ccc(CCc4c1ccc(OC(=O)C)c4)cc3)c(cc2)OC(=O)C
SPLASH splash10-0i6r-0030930000-8437dfb02b48f5ec2707
Source of Spectrum F-52-14499-24
Wiley ID 799677