Napyradiomycin B1
[CAS# 103106-23-6]

Identification

• Name: Napyradiomycin B1
• Synonyms: 3,4A-Dichloro-10A-[(3-Chloro-2,2-Dimethyl-6-Methylene-Cyclohexyl)Methyl]-6,8-Dihydroxy-2,2-Dimethyl-3,4-Dihydrobenzo[G]Chromene-5,10-Dione; 3,4A-Dichloro-10A-[(3-Chloro-2,2-Dimethyl-6-Methylenecyclohexyl)Methyl]-6,8-Dihydroxy-2,2-Dimethyl-3,4-Dihydrobenzo[G]Chromene-5,10-Dione; 3,4A-Dichloro-10A-[(3-Chloro-2,2-Dimethyl-6-Methylene-Cyclohexyl)Methyl]-6,8-Dihydroxy-2,2-Dimethyl-3,4-Dihydrobenzo[G]Chromene-5,10-Quinone
• Molecular Formula: C₂₅H₂₉Cl₃O₅
• Molecular Weight: 515.86
• CAS Registry Number: 103106-23-6
• SMILES: C4=C(C1=C(C(C2(C(C1=O)(CC(C(O2)(C)C)Cl)Cl)CC3C(C(Cl)CCC3=C)(C)C)=O)C=C4O)O
• InChI: 1S/C25H29Cl3O5/c1-12-6-7-17(26)22(2,3)15(12)10-25-20(31)14-8-13(29)9-16(30)19(14)21(32)24(25,28)11-18(27)23(4,5)33-25/h8-9,15,17-18,29-30H,1,6-7,10-11H2,2-5H3
• InChIKey: XBOGIWAZQGMLND-UHFFFAOYSA-N

Properties

• Density: 1.396g/cm³ (Cal.)
• Boiling point: 670.84°C at 760 mmHg (Cal.)
• Flash point: 359.511°C (Cal.)