(1R,2R,3R)-3-methyl-1-(3-methylbutyl)-1,2-bis(oxidanyl)-4-oxidanylidene-8-phenylmethoxy-3H-anthracene-2-carbaldehyde

Systemtic Name: (1R,2R,3R)-3-methyl-1-(3-methylbutyl)-1,2-bis(oxidanyl)-4-oxidanylidene-8-phenylmethoxy-3H-anthracene-2-carbaldehyde Openeye Name: (1R,2R,3R)-8-benzyloxy-1,2-dihydroxy-1-isopentyl-3-methyl-4-oxo-3H-anthracene-2-carbaldehyde CAS Name: (1R,2R,3R)-1,2-dihydroxy-3-methyl-1-(3-methylbutyl)-4-oxo-8-phenylmethoxy-3H-anthracene-2-carboxaldehyde IUPAC Name: (1R,2R,3R)-1,2-dihydroxy-3-methyl-1-(3-methylbutyl)-4-oxo-8-phenylmethoxy-3H-anthracene-2-carbaldehyde Traditional Name: (1R,2R,3R)-8-benzoxy-1,2-dihydroxy-1-isoamyl-4-keto-3-methyl-3H-anthracene-2-carbaldehyde Formula: C28H30O5 MolecularWeight: 446.5348

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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(C=O)O)(CCC(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C28H30O5/c1-18(2)12-13-27(31)24-15-22-21(14-23(24)26(30)19(3)28(27,32)17-29)10-7-11-25(22)33-16-20-8-5-4-6-9-20/h4-11,14-15,17-19,31-32H,12-13,16H2,1-3H3/t19-,27+,28+/m0/s1