(9S,10S,10aR)-10-(2,5-dihexylphenyl)-10a-[(E)-2-(2,5-dihexylphenyl)ethenyl]-4,5,8,9-tetrakis(oxidanyl)-9,10-dihydrophenanthren-1-one

Systemtic Name: (9S,10S,10aR)-10-(2,5-dihexylphenyl)-10a-[(E)-2-(2,5-dihexylphenyl)ethenyl]-4,5,8,9-tetrakis(oxidanyl)-9,10-dihydrophenanthren-1-one Openeye Name: (9S,10S,10aR)-10-(2,5-dihexylphenyl)-10a-[(E)-2-(2,5-dihexylphenyl)vinyl]-4,5,8,9-tetrahydroxy-9,10-dihydrophenanthren-1-one CAS Name: (9S,10S,10aR)-10-(2,5-dihexylphenyl)-10a-[(E)-2-(2,5-dihexylphenyl)ethenyl]-4,5,8,9-tetrahydroxy-9,10-dihydrophenanthren-1-one IUPAC Name: (9S,10S,10aR)-10-(2,5-dihexylphenyl)-10a-[(E)-2-(2,5-dihexylphenyl)ethenyl]-4,5,8,9-tetrahydroxy-9,10-dihydrophenanthren-1-one Traditional Name: (9S,10S,10aR)-10-(2,5-dihexylphenyl)-10a-[(E)-2-(2,5-dihexylphenyl)vinyl]-4,5,8,9-tetrahydroxy-9,10-dihydrophenanthren-1-one Formula: C52H70O5 MolecularWeight: 775.1092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)CCCCCC)C=CC23C(C(C4=C(C=CC(=C4C2=C(C=CC3=O)O)O)O)O)C5=C(C=CC(=C5)CCCCCC)CCCCCC

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)CCCCCC)/C=C/[C@@]23[C@@H]([C@@H](C4=C(C=CC(=C4C2=C(C=CC3=O)O)O)O)O)C5=C(C=CC(=C5)CCCCCC)CCCCCC

InChI

InChI=1S/C52H70O5/c1-5-9-13-17-21-37-25-27-39(23-19-15-11-7-3)41(35-37)33-34-52-46(56)32-31-45(55)50(52)47-43(53)29-30-44(54)48(47)51(57)49(52)42-36-38(22-18-14-10-6-2)26-28-40(42)24-20-16-12-8-4/h25-36,49,51,53-55,57H,5-24H2,1-4H3/b34-33+/t49-,51-,52-/m1/s1