3-methyl-8-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione

Systemtic Name: 3-methyl-8-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione Openeye Name: 3-methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione CAS Name: 3-methyl-8-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione IUPAC Name: 3-methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione Traditional Name: 3-methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4-dihydro-2H-benz[a]anthracene-1,7,12-trione Formula: C25H24O8 MolecularWeight: 452.45326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(=O)C1)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4OC5C(C(C(C(O5)C)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=CC3=C2C(=O)C4=C(C3=O)C5=C(CC(CC5=O)C)C=C4)O)O)O

InChI

InChI=1S/C25H24O8/c1-10-8-12-6-7-14-19(17(12)15(26)9-10)22(29)13-4-3-5-16(18(13)21(14)28)33-25-24(31)23(30)20(27)11(2)32-25/h3-7,10-11,20,23-25,27,30-31H,8-9H2,1-2H3/t10?,11-,20-,23+,24+,25-/m0/s1