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syn-Benzo[1,2-h;4,5-h']bis(naphtho[2,3-c]bicyclo[4.4.1]undeca-3,8-diene-11-one)bis(ethyleneacetal)
SpectraBase Compound ID AoDCV0Vlqbz
InChI InChI=1S/C44H42O4/c1-2-6-28-14-32-20-40-24-36-18-38-26-42-22-34-16-30-8-4-3-7-29(30)15-33(34)21-41(44(42)47-11-12-48-44)25-37(38)17-35(36)23-39(43(40)45-9-10-46-43)19-31(32)13-27(28)5-1/h1-8,13-18,39-42H,9-12,19-26H2/t39-,40-,41+,42+
InChIKey TWWOINLTPJNCGJ-CTHWABHMSA-N
Mol Weight 634.8 g/mol
Molecular Formula C44H42O4
Exact Mass 634.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9sfALvxXle
Name syn-Benzo[1,2-h;4,5-h']bis(naphtho[2,3-c]bicyclo[4.4.1]undeca-3,8-diene-11-one)bis(ethyleneacetal)
Alternate Name(s) anti-Benzo[1,2-h;4,5-h']bis(naphtho[2,3-c]bicyclo[4.4.1]undeca-3,8-diene-11-one)bis(ethyleneacetal)
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Formula C44H42O4
InChI InChI=1S/C44H42O4/c1-2-6-28-14-32-20-40-24-36-18-38-26-42-22-34-16-30-8-4-3-7-29(30)15-33(34)21-41(44(42)47-11-12-48-44)25-37(38)17-35(36)23-39(43(40)45-9-10-46-43)19-31(32)13-27(28)5-1/h1-8,13-18,39-42H,9-12,19-26H2/t39-,40-,41+,42+
InChIKey TWWOINLTPJNCGJ-CTHWABHMSA-N
Molecular Weight 634.816 g/mol
SMILES C12([C@]3(Cc4cc5ccccc5cc4C[C@]1(Cc1cc4C[C@@]5(C6(OCCO6)[C@@](Cc4cc1C3)(Cc1cc3ccccc3cc1C5)[H])[H])[H])[H])OCCO2
SPLASH splash10-0arr-0930004000-f687b23bb145cb00363e
Source of Spectrum F-53-3024-5
Wiley ID 800814