Napyradiomycin A1
[CAS# 103106-24-7]

Identification

• Name: Napyradiomycin A1
• Synonyms: (3R,4Ar,10As)-3,4A-Dichloro-10A-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-6,8-Dihydroxy-2,2-Dimethyl-3,4-Dihydrobenzo[G]Chromene-5,10-Quinone; 2H-Naphtho(2,3-B)Pyran-5,10-Dione, 3,4,4A,10A-Tetrahydro-3,4A-Dichloro-10A-(3,7-Dimethyl-2,6-Octadienyl)-6,8-Dihydroxy-2,2-Dimethyl-; 2H-Naphtho(2,3-B)Pyran-5,10-Dione, 3,4A-Dichloro-10A-(3,7-Dimethyl-2,6-Octadienyl)-3,4,4A,10A-Tetrahydro-6,8-Dihydroxy-2,2-Dimethyl-
• Molecular Formula: C₂₅H₃₀Cl₂O₅
• Molecular Weight: 481.42
• CAS Registry Number: 103106-24-7
• 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=C(\CCC=C(C)C)C
• InChI: 1S/C25H30Cl2O5/c1-14(2)7-6-8-15(3)9-10-25-21(30)17-11-16(28)12-18(29)20(17)22(31)24(25,27)13-19(26)23(4,5)32-25/h7,9,11-12,19,28-29H,6,8,10,13H2,1-5H3/b15-9+/t19-,24+,25+/m1/s1
• InChIKey: BCPWMPCOEAOEDD-NQSCOFRMSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 642.523°C at 760 mmHg (Cal.)
• Flash point: 342.386°C (Cal.)