RODORUBICIN

Molecular Formula: C₄₈H₆₄N₂O₁₇

InChI: InChI=1/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/h11-13,19-22,24-25,28-33,39,44-47,51,53,56-58H,10,14-18H2,1-9H3/t19-,20-,21-,22-,24-,25-,28-,29-,30-,31-,32-,33-,39+,44+,45+,46+,47-,48+/m0/s1

InChIKey: InChIKey=JXVAMODRWBNUSF-KZQKBALLBE
SMILES: CCC1(CC(C2=C(C3=C(C(=C2C1OC4CC(C(C(O4)C)O)N(C)C)O)C(=O)C5=C(C3=O)C(=CC=C5)O)O)OC6CC(C(C(O6)C)OC7CC8C(C(O7)C)OC9C(O8)CC(=O)C(O9)C)N(C)C)O

Names:
    Rodorubicina [Spanish]
    Rodorubicine [French]
    Rodorubicinum [Latin]
    RODORUBICIN
    Rodorubicin [INN]
    RODORUBICIN
    (1S,3R,4R)-3-Ethyl-1,2,3,4,6,11-hexahydro-3,5,10,12-tetrahydroxy-6,11-dioxo-4-((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1-naphthacenyl O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulosyl-(1->4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside, 2'',3'-anhydride
    96497-67-5

Registries:
    PubChem CID 57097
    PubChem ID 194245