Sitoindoside Iv
[CAS# 98941-86-7]

Identification

• Name: Sitoindoside Iv
• Synonyms: [2-[[6-[[17-(4-Ethyl-1,5-Dimethyl-Hexyl)-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methoxy]-3,4,5,6-Tetrahydroxy-Cyclohexyl] Hexadecanoate; Hexadecanoic Acid [2-[[6-
• Molecular Formula: C₅₇H₁₀₀O₁₂
• Molecular Weight: 977.41
• CAS Registry Number: 98941-86-7
• SMILES: C(C5OC(OC4CC3=CCC2C1CCC(C1(CCC2C3(CC4)C)C)C(CCC(C(C)C)CC)C)C(C(C5O)O)O)OC6C(C(C(C(O)C6O)O)O)OC(=O)CCCCCCCCCCCCCCC
• InChI: 1S/C57H100O12/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(58)69-54-51(64)49(62)48(61)50(63)53(54)66-34-44-46(59)47(60)52(65)55(68-44)67-39-29-31-56(6)38(33-39)25-26-40-42-28-27-41(57(42,7)32-30-43(40)56)36(5)23-24-37(9-2)35(3)4/h25,35-37,39-44,46-55,59
• InChIKey: IWPRSBXDWFAINE-UHFFFAOYSA-N

Properties

• Density: 1.157g/cm³ (Cal.)
• Boiling point: 920.573°C at 760 mmHg (Cal.)
• Flash point: 241.968°C (Cal.)