(5R,10aS)-8-(hydroxymethyl)-3-methoxy-10a-methyl-5-oxidanyl-6,10-dihydro-5H-anthracene-1,4-dione

Systemtic Name: (5R,10aS)-8-(hydroxymethyl)-3-methoxy-10a-methyl-5-oxidanyl-6,10-dihydro-5H-anthracene-1,4-dione Openeye Name: (5R,10aS)-5-hydroxy-8-(hydroxymethyl)-3-methoxy-10a-methyl-6,10-dihydro-5H-anthracene-1,4-dione CAS Name: (5R,10aS)-5-hydroxy-8-(hydroxymethyl)-3-methoxy-10a-methyl-6,10-dihydro-5H-anthracene-1,4-dione IUPAC Name: (5R,10aS)-5-hydroxy-8-(hydroxymethyl)-3-methoxy-10a-methyl-6,10-dihydro-5H-anthracene-1,4-dione Traditional Name: (5R,10aS)-5-hydroxy-3-methoxy-10a-methyl-8-methylol-6,10-dihydro-5H-anthracene-1,4-quinone Formula: C17H18O5 MolecularWeight: 302.32182

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3=C(C=C1C(=CCC2O)CO)C(=O)C=C(C3=O)OC

Isomeric SMILES

C[C@]12CC3=C(C=C1C(=CC[C@H]2O)CO)C(=O)C=C(C3=O)OC

InChI

InChI=1S/C17H18O5/c1-17-7-11-10(13(19)6-14(22-2)16(11)21)5-12(17)9(8-18)3-4-15(17)20/h3,5-6,15,18,20H,4,7-8H2,1-2H3/t15-,17+/m1/s1