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5,6,26,27-tetrahydroxyheptacyclo[36.4.0.0(3,8).0(10,15).0(17,22).0(24,29).0(31,36)]dotetraconta-1(38),3(8),4,6,10(15),11,13,17(22),18,20,24(29),25,27,31(36),32,34,39,41-octadecaene, Tetrahydroxy[1(6)]OCP
SpectraBase Compound ID O70SkKcZTm
InChI InChI=1S/C42H36O4/c43-39-23-35-19-31-13-5-1-9-27(31)17-28-10-2-6-14-32(28)20-37-25-41(45)42(46)26-38(37)22-34-16-8-4-12-30(34)18-29-11-3-7-15-33(29)21-36(35)24-40(39)44/h1-16,23-26,43-46H,17-22H2
InChIKey MDKNCHBBTLOZKX-UHFFFAOYSA-N
Mol Weight 604.7 g/mol
Molecular Formula C42H36O4
Exact Mass 604.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITlvcYyOKEu
Name 5,6,26,27-tetrahydroxyheptacyclo[36.4.0.0(3,8).0(10,15).0(17,22).0(24,29).0(31,36)]dotetraconta-1(38),3(8),4,6,10(15),11,13,17(22),18,20,24(29),25,27,31(36),32,34,39,41-octadecaene, Tetrahydroxy[1(6)]OCP
Alternate Name(s) 5,10,15,20,25,30-hexahydrohexabenzo[a,d,g,j,m,p]cyclooctadecene-2,3,17,18-tetrol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H36O4
InChI InChI=1S/C42H36O4/c43-39-23-35-19-31-13-5-1-9-27(31)17-28-10-2-6-14-32(28)20-37-25-41(45)42(46)26-38(37)22-34-16-8-4-12-30(34)18-29-11-3-7-15-33(29)21-36(35)24-40(39)44/h1-16,23-26,43-46H,17-22H2
InChIKey MDKNCHBBTLOZKX-UHFFFAOYSA-N
Molecular Weight 604.746 g/mol
SMILES Oc1c(cc2c(Cc3c(Cc4c(Cc5c(cc(c(c5)O)O)Cc5c(Cc6c(C2)cccc6)cccc5)cccc4)cccc3)c1)O
SPLASH splash10-0udi-0023009000-7b4a5c718c433d081c66
Source of Spectrum J-59-4499-19
Wiley ID 1410513