(3R,4aR,10aS)-3,4alpha-Dichloro-10alpha-[[(1S,3S,6S)-3-Chloro-6-Hydroxy-2,2,6-Trimethylcyclohexyl]Methyl]-6,8-Dihydroxy-2,2-Dimethyl-3,4-Dihydrobenzo[g]Chromene-5,10-Dione
[CAS 111216-63-8]

Identification

• Name: (3R,4aR,10aS)-3,4alpha-Dichloro-10alpha-[[(1S,3S,6S)-3-Chloro-6-Hydroxy-2,2,6-Trimethylcyclohexyl]Methyl]-6,8-Dihydroxy-2,2-Dimethyl-3,4-Dihydrobenzo[g]Chromene-5,10-Dione
• Synonyms: (3R,4Ar,10As)-3,4A-Dichloro-10A-[[(1S,3S,6S)-3-Chloro-6-Hydroxy-2,2,6-Trimethyl-Cyclohexyl]Methyl]-6,8-Dihydroxy-2,2-Dimethyl-3,4-Dihydrobenzo[G]Chromene-5,10-Dione; (3R,4Ar,10As)-3,4A-Dichloro-10A-[[(1S,3S,6S)-3-Chloro-6-Hydroxy-2,2,6-Trimethyl-Cyclohexyl]Methyl]-6,8-Dihydroxy-2,2-Dimethyl-3,4-Dihydrobenzo[G]Chromene-5,10-Quinone; 13-Hydroxy-13-Methylnapyradiomycin B1
• Molecular Formula: C₂₅H₃₁Cl₃O₆
• Molecular Weight: 533.88
• CAS Registry Number: 111216-63-8
• SMILES: [C@]12(OC([C@H](Cl)C[C@]1(Cl)C(=O)C3=C(C2=O)C=C(O)C=C3O)(C)C)C[C@H]4C([C@@H](Cl)CC[C@@]4(O)C)(C)C
• InChI: 1S/C25H31Cl3O6/c1-21(2)15(23(5,33)7-6-16(21)26)10-25-19(31)13-8-12(29)9-14(30)18(13)20(32)24(25,28)11-17(27)22(3,4)34-25/h8-9,15-17,29-30,33H,6-7,10-11H2,1-5H3/t15-,16-,17+,23-,24-,25-/m0/s1
• InChIKey: WIMMWIAJQXLZLL-VTQDYBALSA-N

Properties

• Density: 1.435g/cm³ (Cal.)
• Boiling point: 698.406°C at 760 mmHg (Cal.)
• Flash point: 376.183°C (Cal.)