Julichrome Q1.1
[CAS# 18126-05-1]

Identification

• Name: Julichrome Q1.1
• Synonyms: Calcium [(1R)-1-[(1S,2S)-6-[(5S,6S)-5-[(1R)-1-Acetoxyethyl]-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; Calcium Acetic Acid [(1R)-1-[(1S,2S)-6-[(5S,6S)-5-[(1R)-1-Acetoxyethyl]-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] Ester; Calcium Acetic Acid [(1R)-1-[(1S,2S)-6-[(5S,6S)-5-[(1R)-1-Acetoxyethyl]-1,6-Dihydroxy-8,9,10-Triketo-6-Methyl-5,7-Dihydroanthracen-2-Yl]-2,5-Dihydroxy-4,9,10-Triketo-2-Methyl-1,3-Dihydroanthracen-1-Yl]Ethyl] Ester
• Molecular Formula: C₃₈H₃₄CaO₁₄
• Molecular Weight: 754.76
• CAS Registry Number: 18126-05-1
• SMILES: [C@@H]1([C@@](O)(CC(=O)C2=C1C(=O)C6=C(C2=O)C(=C(C5=C(O)C4=C(C(=O)C3=C(C(=O)C[C@](O)([C@@H]3[C@H](OC(=O)C)C)C)C4=O)C=C5)C=C6)O)C)[C@H](OC(=O)C)C.[Ca++]
• InChI: 1S/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: VCZCFGUIBSKLQE-MCPHHHSRSA-N

Properties

• Boiling point: 925.9°C at 760 mmHg (Cal.)
• Flash point: 289.4°C (Cal.)