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1-[2,3-bis(oxidanyl)-4-(2-oxidanylnaphthalen-1-yl)naphthalen-1-yl]-4-(2-oxidanylnaphthalen-1-yl)naphthalene-2,3-diol
SpectraBase Compound ID 5N8YbB6oxGO
InChI InChI=1S/C40H26O6/c41-29-19-17-21-9-1-3-11-23(21)31(29)33-25-13-5-7-15-27(25)35(39(45)37(33)43)36-28-16-8-6-14-26(28)34(38(44)40(36)46)32-24-12-4-2-10-22(24)18-20-30(32)42/h1-20,41-46H
InChIKey SHNLNBRBFDVEJU-UHFFFAOYSA-N
Mol Weight 602.6 g/mol
Molecular Formula C40H26O6
Exact Mass 602.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHPF0LtiKH7
Name 1-[2,3-bis(oxidanyl)-4-(2-oxidanylnaphthalen-1-yl)naphthalen-1-yl]-4-(2-oxidanylnaphthalen-1-yl)naphthalene-2,3-diol
Comments Less than 3 mono-isotopic peaks
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Formula C40H26O6
InChI InChI=1S/C40H26O6/c41-29-19-17-21-9-1-3-11-23(21)31(29)33-25-13-5-7-15-27(25)35(39(45)37(33)43)36-28-16-8-6-14-26(28)34(38(44)40(36)46)32-24-12-4-2-10-22(24)18-20-30(32)42/h1-20,41-46H
InChIKey SHNLNBRBFDVEJU-UHFFFAOYSA-N
Molecular Weight 602.642 g/mol
SMILES Oc1c(c(-c2c(c(c(c3c2cccc3)-c2c3c(cccc3)ccc2O)O)O)c2c(c1-c1c3c(cccc3)ccc1O)cccc2)O
SPLASH splash10-0udi-0000009000-89a66729b50b3bfe6799
Source of Spectrum J-61-1209-0
Synonyms 1-[2,3-dihydroxy-4-(2-hydroxy-1-naphthalenyl)-1-naphthalenyl]-4-(2-hydroxy-1-naphthalenyl)naphthalene-2,3-diol 1-[2,3-dihydroxy-4-(2-hydroxy-1-naphthyl)-1-naphthyl]-4-(2-hydroxy-1-naphthyl)naphthalene-2,3-diol 1-[2,3-dihydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-(2-hydroxynaphthalen-1-yl)naphthalene-2,3-diol
Wiley ID 1410350