Pengitoxin
[CAS# 7242-04-8]

Identification

• Name: Pengitoxin
• Synonyms: [3-[4-Acetoxy-5-[4-Acetoxy-5-(4,5-Diacetoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Acetate; Acetic Acid [3-[[4-Acetoxy-5-[[4-Acetoxy-5-[(4,5-Diacetoxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-6-Methyl-2-Tetrahydropyranyl]Oxy]-6-Methyl-2-Tetrahydropyranyl]Oxy]-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Ester; Acetic Acid [3-[4-Acetoxy-5-[4-Acetoxy-5-(4,5-Diacetoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Hydroxy-17-(5-Keto-2H-Furan-3-Yl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Ester
• Molecular Formula: C₅₁H₇₄O₁₉
• Molecular Weight: 991.13
• CAS Registry Number: 7242-04-8 (27071-80-3)
• EINECS: 230-645-5
• SMILES: CC67C(C5C(C4(C(CC(OC3CC(C(OC2CC(C(OC1CC(C(OC(C)=O)C(O1)C)OC(C)=O)C(O2)C)OC(C)=O)C(O3)C)OC(C)=O)CC4)CC5)C)CC6)(CC(OC(C)=O)C7C8=CC(=O)OC8)O
• InChI: 1S/C51H74O19/c1-24-46(67-31(8)56)37(63-27(4)52)20-43(61-24)69-48-26(3)62-44(21-39(48)65-29(6)54)70-47-25(2)60-42(19-38(47)64-28(5)53)68-34-13-15-49(9)33(18-34)11-12-36-35(49)14-16-50(10)45(32-17-41(57)59-23-32)40(66-30(7)55)22-51(36,50)58/h17,24-26,33-40,42-48,58H,11-16,18-23H2,1-10H3
• InChIKey: JDYLJSDIEBHXPO-UHFFFAOYSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 923.518°C at 760 mmHg (Cal.)
• Flash point: 254.416°C (Cal.)