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PHYSCION_BIANTHRONE
SpectraBase Compound ID 9gBFBFehNMb
InChI InChI=1S/C32H26O8/c1-13-5-17-25(19-9-15(39-3)11-23(35)29(19)31(37)27(17)21(33)7-13)26-18-6-14(2)8-22(34)28(18)32(38)30-20(26)10-16(40-4)12-24(30)36/h5-12,25-26,33-36H,1-4H3
InChIKey CZJNLQOXUCEPOH-UHFFFAOYSA-N
Mol Weight 538.6 g/mol
Molecular Formula C32H26O8
Exact Mass 538.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2R0Ppe2VYHy
Name Physcion-10,10'-bianthrone
CAS Registry Number 21871-90-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H26O8
InChI InChI=1S/C32H26O8/c1-13-5-17-25(19-9-15(39-3)11-23(35)29(19)31(37)27(17)21(33)7-13)26-18-6-14(2)8-22(34)28(18)32(38)30-20(26)10-16(40-4)12-24(30)36/h5-12,25-26,33-36H,1-4H3
InChIKey CZJNLQOXUCEPOH-UHFFFAOYSA-N
Molecular Weight 538.552 g/mol
SMILES Oc1cc(cc2C(C3c4c(C(c5c3cc(cc5O)C)=O)c(cc(c4)OC)O)c3c(C(c12)=O)c(cc(c3)OC)O)C
SPLASH splash10-01b9-0090000000-5124d4ff9ca2db47145d
Source of Spectrum W5-1989-34644-30892
Synonyms 10-(4,5-dihydroxy-10-keto-2-methoxy-7-methyl-9H-anthracen-9-yl)-1,8-dihydroxy-3-methoxy-6-methyl-10H-anthracen-9-one 10-(4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl)-1,8-dihydroxy-3-methoxy-6-methyl-10H-anthracen-9-one 3-Methoxy-10-[2-methoxy-7-methyl-4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]-6-methyl-1,8-bis(oxidanyl)-10H-anthracen-9-one
Wiley ID 1404363