Aclacinomycin B
[CAS# 57596-79-9]

Identification

• Name: Aclacinomycin B
• Synonyms: Aclacinomycin B; Antibiotic Ma144 B1; Antibiotic Ma144-B1
• Molecular Formula: C₄₂H₅₁NO₁₅
• Molecular Weight: 809.86
• CAS Registry Number: 57596-79-9
• SMILES: [C@H]4(C3=C(O)C2=C(C(C1=C(C(=CC=C1)O)C2=O)=O)C=C3[C@@H](C(=O)OC)[C@](C4)(CC)O)OC8CC(C(OC7OC(C6OC5OC(C)C(=O)CC5OC6C7)C)C(O8)C)N(C)C
• InChI: 1S/C42H51NO15/c1-8-42(50)16-28(32-21(34(42)40(49)51-7)12-22-33(37(32)48)36(47)31-20(35(22)46)10-9-11-24(31)44)56-29-13-23(43(5)6)38(18(3)52-29)57-30-15-26-39(19(4)53-30)58-41-27(55-26)14-25(45)17(2)54-41/h9-12,17-19,23,26-30,34,38-39,41,44,48,50H,8,13-16H2,1-7H3/t17?,18?,19?,23?,26?,27?,28-,29?,30?,34-,38?,39?,41?,42+/m0/s1
• InChIKey: RQHZAASWYUEYCJ-RVDHOICPSA-N

Properties

• Density: 1.445g/cm³ (Cal.)
• Boiling point: 873.003°C at 760 mmHg (Cal.)
• Flash point: 481.775°C (Cal.)