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exo-26-Hydroxy-26-methyl-27-oxobenzo[1,2-h:4,5-h']bis(naphtho[2,3-c]bicyclo[4.4.1]undeca-3,8-diene) isomer
SpectraBase Compound ID DIF4gIDYnlV
InChI InChI=1S/C41H38O2/c1-41(43)36-18-31-13-25-7-2-3-8-26(25)14-32(31)19-37(41)21-34-17-35-23-39-38-22-27-9-5-4-6-24(27)12-28(38)10-11-29(40(39)42)15-30(35)16-33(34)20-36/h2-9,12-14,16-17,22,29,36-37,39,43H,10-11,15,18-21,23H2,1H3/t29-,36+,37-,39+,41+/m0/s1
InChIKey QKYUODIRHMAEJF-UHFFFAOYSA-N
Mol Weight 562.8 g/mol
Molecular Formula C41H38O2
Exact Mass 562.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21q2gUsi1R4
Name exo-26-Hydroxy-26-methyl-27-oxobenzo[1,2-h:4,5-h']bis(naphtho[2,3-c]bicyclo[4.4.1]undeca-3,8-diene) isomer
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Formula C41H38O2
InChI InChI=1S/C41H38O2/c1-41(43)36-18-31-13-25-7-2-3-8-26(25)14-32(31)19-37(41)21-34-17-35-23-39-38-22-27-9-5-4-6-24(27)12-28(38)10-11-29(40(39)42)15-30(35)16-33(34)20-36/h2-9,12-14,16-17,22,29,36-37,39,43H,10-11,15,18-21,23H2,1H3/t29-,36+,37-,39+,41-/m0/s1
InChIKey QKYUODIRHMAEJF-UHFFFAOYSA-N
Molecular Weight 562.753 g/mol
SMILES O[C@@]1([C@@]2(Cc3cc4C[C@@]5(c6c(cc7ccccc7c6)CC[C@](C5=O)(Cc4cc3C[C@]1(Cc1c(C2)cc2c(cccc2)c1)[H])[H])[H])[H])C
SPLASH splash10-0690-0910020000-6fc7237cf3251a1ab473
Source of Spectrum F-54-5181-13
Synonyms endo-26-Hydroxy-26-methyl-27-oxobenzo[1,2-h:4,5-h']bis(naphtho[2,3-c]bicyclo[4.4.1]undeca-3,8-diene) isomer
Wiley ID 806654