COMPOUND RECORD :


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Summary

Compound Information

FormulaC90H80B2O4
Molecular Weight1247.218
SynonymsNot available

Structure Descriptors

SMILES:CC1=CC(C)=C(C(C)=C1)C1=CC2=C3C(=C1)C1=C4C(=CC(=C1)B1OC(C)(C)C(C)(C)O1)C1=CC(=CC5=C1C1=C4C3=C3C4=C(C=C(C=C24)C2=C(C)C=C(C)C=C2C)C2=C4C(=CC(=C2)C2=C(C)C=C(C)C=C2C)C2=C(C5=CC(=C2)C2=C(C)C=C(C)C=C2C)C1=C34)B1OC(C)(C)C(C)(C)O1
InChI:1S/C90H80B2O4/c1-41-21-45(5)71(46(6)22-41)53-29-59-60-30-54(72-47(7)23-42(2)24-48(72)8)32-62-64-34-56(74-51(11)27-44(4)28-52(74)12)36-66-68-38-58(92-95-89(17,18)90(19,20)96-92)40-70-69-39-57(91-93-87(13,14)88(15,16)94-91)37-67-65-35-55(73-49(9)25-43(3)26-50(73)10)33-63-61(31-53)75(59)81-82(76(60)62)84(78(64)66)86(80(68)70)85(79(67)69)83(81)77(63)65/h21-40H,1-20H3
InChIKey:NBQFVLPIQPEPDZ-UHFFFAOYSA-N