Halichondrin B
[CAS# 103614-76-2]

Identification

• Name: Halichondrin B
• Synonyms: B722121f050(=K054); From Marine Animal, Axinella Sp.; Halichondrin B
• Molecular Formula: C₆₀H₈₆O₁₉
• Molecular Weight: 1111.33
• CAS Registry Number: 103614-76-2
• SMILES: C13%13OC%14C2C(C(O1)C(O2)C3)OC%15CCC(CC(OC6C(OC5CC4OC8(CC4OC5C6C)OC7C(CC%10(OC7C8)OC9CC(C(CC(O)CO)O)OC9C(C%10)C)C)CC%11C(=C)C(CC(O%11)CCC%12OC(CC%12=C)CC%13)C)=O)OC%14%15
• InChI: 1S/C60H86O19/c1-26-13-33-7-9-37-27(2)14-35(65-37)11-12-58-23-46-54(78-58)55-56(72-46)57(79-58)53-38(69-55)10-8-34(67-53)16-48(64)73-52-31(6)51-43(68-42(52)17-39(66-33)30(26)5)19-41-45(71-51)22-60(74-41)24-47-50(77-60)29(4)21-59(76-47)20-28(3)49-44(75-59)18-40(70-49)36(63)15-32(62)25-61/h26,28-29,31-47,49-57,61-63H,2,5,7-25H2,1,3-4,6H3
• InChIKey: FXNFULJVOQMBCW-UHFFFAOYSA-N

Properties

• Density: 1.384g/cm³ (Cal.)