(2S,4R)-2-methyl-4-(3-methylbutyl)-4-oxidanyl-5-phenylmethoxy-anthracene-1,3-dione

Systemtic Name: (2S,4R)-2-methyl-4-(3-methylbutyl)-4-oxidanyl-5-phenylmethoxy-anthracene-1,3-dione Openeye Name: (2S,4R)-5-benzyloxy-4-hydroxy-4-isopentyl-2-methyl-anthracene-1,3-dione CAS Name: (2S,4R)-4-hydroxy-2-methyl-4-(3-methylbutyl)-5-phenylmethoxyanthracene-1,3-dione IUPAC Name: (2S,4R)-4-hydroxy-2-methyl-4-(3-methylbutyl)-5-phenylmethoxyanthracene-1,3-dione Traditional Name: (2S,4R)-5-benzoxy-4-hydroxy-4-isoamyl-2-methyl-anthracene-1,3-quinone Formula: C27H28O4 MolecularWeight: 416.50882

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C2=C(C=C3C(=C2)C=CC=C3OCC4=CC=CC=C4)C(C1=O)(CCC(C)C)O

Isomeric SMILES

C[C@H]1C(=O)C2=C(C=C3C(=C2)C=CC=C3OCC4=CC=CC=C4)[C@@](C1=O)(CCC(C)C)O

InChI

InChI=1S/C27H28O4/c1-17(2)12-13-27(30)23-15-21-20(14-22(23)25(28)18(3)26(27)29)10-7-11-24(21)31-16-19-8-5-4-6-9-19/h4-11,14-15,17-18,30H,12-13,16H2,1-3H3/t18-,27+/m0/s1