Casuarinin
[CAS# 79786-01-9]

Identification

• Name: Casuarinin
• Synonyms: Casuarinin
• Molecular Formula: C₄₁H₂₈O₂₆
• Molecular Weight: 936.66
• CAS Registry Number: 79786-01-9
• SMILES: [C@@H]24[C@H](C1=C(C(=C(O)C(=C1C(=O)O2)C3=C(C=C(C(=C3O)O)O)C(O[C@H]4[C@@H]6OC(C8=C(C5=C(C(=C(C=C5C(OC[C@H]6OC(C7=CC(=C(O)C(=C7)O)O)=O)=O)O)O)O)C(=C(C(=C8)O)O)O)=O)=O)O)O)O
• InChI: 1S/C41H28O26/c42-11-1-7(2-12(43)23(11)47)37(58)64-16-6-63-38(59)8-3-13(44)24(48)27(51)17(8)18-9(4-14(45)25(49)28(18)52)39(60)65-34(16)36-35-32(56)22-21(41(62)66-35)20(30(54)33(57)31(22)55)19-10(40(61)67-36)5-15(46)26(50)29(19)53/h1-5,16,32,34-36,42-57H,6H2/t16-,32+,34-,35+,36+/m1/s1
• InChIKey: MMQXBTULXAEKQE-VSLJGAQWSA-N

Properties

• Density: 2.284g/cm³ (Cal.)