Rodorubicin
[CAS# 96497-67-5]

Identification

• Name: Rodorubicin
• Synonyms: Rodorubicin; Rodorubicin [Inn]; Rodorubicina [Spanish]
• Molecular Formula: C₄₈H₆₄N₂O₁₇
• Molecular Weight: 941.04
• CAS Registry Number: 96497-67-5
• SMILES: [C@@H]7(O[C@@H]1O[C@H]([C@@H](O)[C@@H](N(C)C)C1)C)C2=C(O)C8=C(C(=C2[C@@H](O[C@@H]6O[C@H]([C@@H](O[C@@H]5O[C@H]([C@H]4O[C@@H]3O[C@H](C(=O)C[C@@H]3O[C@H]4C5)C)C)[C@@H](N(C)C)C6)C)C[C@]7(O)CC)O)C(=O)C9=C(C8=O)C=CC=C9O
• InChI: 1S/C48H64N2O17/c1-10-48(58)18-30(64-31-15-25(50(8)9)44(21(4)60-31)65-33-17-28-45(22(5)61-33)67-47-29(63-28)16-27(52)19(2)62-47)35-38(46(48)66-32-14-24(49(6)7)39(53)20(3)59-32)43(57)36-37(42(35)56)41(55)34-23(40(36)54)12-11-13-26(34)51/h11-13,19-22,24-25,2
• InChIKey: JXVAMODRWBNUSF-KZQKBALLSA-N

Properties

• Density: 1.45g/cm³ (Cal.)