Mallotusinic Acid
[CAS# 66421-47-4]

Identification

• Name: Mallotusinic Acid
• Synonyms: Mallotusinic Acid
• Molecular Formula: C₄₈H₃₂O₃₂
• Molecular Weight: 1120.76
• CAS Registry Number: 66421-47-4
• SMILES: [C@@H]19C(O)(O)[C@]%10(OC2=C1C(=CC(=C2O)O)C(O[C@@H]6[C@H]8OC(=O)C3=CC(=C(O)C(=C3C5=C(O)C(=C(OC4=C(O)C(=C(O)C=C4C(O)=O)O)C=C5C(OC[C@@H](O[C@H]6OC(=O)C7=CC(=C(O)C(=C7)O)O)[C@H]8OC(=O)C9=CC%10=O)=O)O)O)O)=O)O
• InChI: 1S/C48H32O32/c49-15-1-9(2-16(50)27(15)55)41(65)79-46-39-38-36(76-45(69)13-7-22(54)48(72)47(70,71)26(13)25-11(44(68)78-39)4-19(53)30(58)37(25)80-48)21(75-46)8-73-42(66)12-6-20(74-35-14(40(63)64)5-18(52)29(57)34(35)62)31(59)33(61)24(12)23-10(43(67)77-38)3-17(51)28(56)32(23)60/h1-7,21,26,36,38-39,46,49-53,55-62,70-72H,8H2,(H,63,64)/t21-,26+,36-,38+,39-,46+,48+/m1/s1
• InChIKey: IHHYLDUUGFQCFR-PDRZNIRRSA-N