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{9,9'-bis[(2-propyl-4,5,7-trihydroxy-9,10-dihydro-10-oxo)anthracene]
SpectraBase Compound ID LiWrOfQwyy
InChI InChI=1S/C34H30O8/c1-3-5-15-7-19-27(23(37)9-15)31(29-21(33(19)41)11-17(35)13-25(29)39)32-28-20(8-16(6-4-2)10-24(28)38)34(42)22-12-18(36)14-26(40)30(22)32/h7-14,31-32,35-40H,3-6H2,1-2H3
InChIKey UPAGADPLWLBDFU-UHFFFAOYSA-N
Mol Weight 566.6 g/mol
Molecular Formula C34H30O8
Exact Mass 566.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40amWfSCZLK
Name {9,9'-bis[(2-propyl-4,5,7-trihydroxy-9,10-dihydro-10-oxo)anthracene]
Alternate Name(s) {9,9'-bis[(2-propyl-4,5,7-trihydroxy-9,10-dihydro-10-oxo)anthracene]} (E)-{9,9'-bis[(2-propyl-4,5,7-trihydroxy-9,10-dihydro-10-oxo)anthracene] 2,4,5-trihydroxy-7-propyl-10-(1,3,8-trihydroxy-10-oxo-6-propyl-9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracen-9-one
CAS Registry Number 97948-90-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H30O8
InChI InChI=1S/C34H30O8/c1-3-5-15-7-19-27(23(37)9-15)31(29-21(33(19)41)11-17(35)13-25(29)39)32-28-20(8-16(6-4-2)10-24(28)38)34(42)22-12-18(36)14-26(40)30(22)32/h7-14,31-32,35-40H,3-6H2,1-2H3
InChIKey UPAGADPLWLBDFU-UHFFFAOYSA-N
Molecular Weight 566.606 g/mol
SMILES Oc1cc(cc2c1C(C1c3c(cc(cc3C(c3c1c(cc(c3)O)O)=O)CCC)O)c1c(C2=O)cc(cc1O)CCC)O
SPLASH splash10-001i-0090000000-3096168c63e4c9fa19b1
Source of Spectrum B-38-804-0
Wiley ID 1407352