Ditrisarubicin B
[CAS# 87385-19-1]

Identification

• Name: Ditrisarubicin B
• Synonyms: Ditrisarubicin B
• Molecular Formula: C₆₀H₈₀N₂O₂₂
• Molecular Weight: 1181.29
• CAS Registry Number: 87385-19-1
• SMILES: C%12=C%11C(=O)C1=C(C(=C6C(=C1O)C(OC5OC(C(OC4OC(C3OC2OC(C(=O)CC2OC3C4)C)C)C(N(C)C)C5)C)C(O)(CC6OC7C(N(C)C)CC(OC7C)OC%10OC(C9OC8OC(C(=O)CC8OC9C%10)C)C)CC)O)C(=O)C%11=C(O)C=C%12
• InChI: 1S/C60H80N2O22/c1-12-60(70)22-39(79-53-25(4)71-40(16-30(53)61(8)9)80-42-20-35-55(27(6)73-42)83-58-37(77-35)18-33(64)23(2)75-58)45-48(52(69)46-47(51(45)68)50(67)44-29(49(46)66)14-13-15-32(44)63)57(60)82-41-17-31(62(10)11)54(26(5)72-41)81-43-21-36-56(28(7)74-43)84-59-38(78-36)19-34(65)24(3)76-59/h13-15,23-28,30-31,35-43,53-59,63,68-70H,12,16-22H2,1-11H3
• InChIKey: XOWBSQHTLMJEJN-UHFFFAOYSA-N

Properties

• Density: 1.447g/cm³ (Cal.)