Julimycin B2 calcium salt

Molecular Formula: C38H34CaO14+2


InChI: InChI=1/C38H34O14.Ca/c1-13(51-15(3)39)29-27-25(21(41)11-37(29,5)49)35(47)23-19(33(27)45)9-7-17(31(23)43)18-8-10-20-24(32(18)44)36(48)26-22(42)12-38(6,50)30(28(26)34(20)46)14(2)52-16(4)40;/h7-10,13-14,29-30,43-44,49-50H,11-12H2,1-6H3;/q;+2/t13-,14-,29-,30-,37+,38+;/m1./s1

InChIKey: InChIKey=VCZCFGUIBSKLQE-MCPHHHSRBC
SMILES: CC(C1C2=C(C(=O)CC1(C)O)C(=O)C3=C(C2=O)C=CC(=C3O)C4=C(C5=C(C=C4)C(=O)C6=C(C5=O)C(=O)CC(C6C(C)OC(=O)C)(C)O)O)OC(=O)C.[Ca+2]

Names:
    calcium [(1R)-1-[(1R,2S)-6-[(5R,6S)-5-[(1R)-1-acetyloxyethyl]-1,6-dihydroxy-6-methyl-8,9,10-trioxo-5,7-dihydroanthracen-2-yl]-2,5-dihydroxy-2-methyl-4,9,10-trioxo-1,3-dihydroanthracen-1-yl]ethyl] acetate
    Julimycin B2 calcium salt
    NSC248605
    18126-05-1

Registries:
    PubChem CID 5458478
    PubChem ID 8140707