(3-beta,20-beta)-29-(cyclohexylamino)-11,29-dioxoolean-12-en-3-yl N-cyclohexyl-2-O-(2,3,4-tri-O-acetyl-N-cyclohexyl-beta-D-glucopyranuronamidosyl)-alpha-D-Glucopyranosiduronamide 3,4-diacetate
[CAS# 126145-76-4]

Identification

• Name: (3-beta,20-beta)-29-(cyclohexylamino)-11,29-dioxoolean-12-en-3-yl N-cyclohexyl-2-O-(2,3,4-tri-O-acetyl-N-cyclohexyl-beta-D-glucopyranuronamidosyl)-alpha-D-Glucopyranosiduronamide 3,4-diacetate
• Synonyms: [3-Acetoxy-2-(Cyclohexylcarbamoyl)-6-[[11-(Cyclohexylcarbamoyl)-4,4,6A,6B,8A,11,14B-Heptamethyl-14-Oxo-2,3,4A,5,6,7,8,9,10,12,12A,14A-Dodecahydro-1H-Picen-3-Yl]Oxy]-5-[4,5,6-Triacetoxy-2-(Cyclohexylcarbamoyl)Tetrahydropyran-3-Yl]Oxy-Tetrahydropyran-4-Yl] Acetate; Acetic Acid [3-Acetoxy-2-[(Cyclohexylamino)-Oxomethyl]-6-[[11-[(Cyclohexylamino)-Oxomethyl]-4,4,6A,6B,8A,11,14B-Heptamethyl-14-Oxo-2,3,4A,5,6,7,8,9,10,12,12A,14A-Dodecahydro-1H-Picen-3-Yl]Oxy]-5-[[4,5,6-Triacetoxy-2-[(Cyclohexylamino)-Oxomethyl]-3-Tetrahydropyranyl]Oxy]-4-Tetrahydropyranyl] Ester; Acetic Acid [3-Acetoxy-2-(Cyclohexylcarbamoyl)-6-[[11-(Cyclohexylcarbamoyl)-14-Keto-4,4,6A,6B,8A,11,14B-Heptamethyl-2,3,4A,5,6,7,8,9,10,12,12A,14A-Dodecahydro-1H-Picen-3-Yl]Oxy]-5-[4,5,6-Triacetoxy-2-(Cyclohexylcarbamoyl)Tetrahydropyran-3-Yl]Oxy-Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₇₀H₁₀₅N₃O₁₈
• Molecular Weight: 1276.61
• CAS Registry Number: 126145-76-4
• SMILES: CC(OC1C(OC(=O)C)C(OC(C1OC3C(C(NC2CCCCC2)=O)OC(OC(=O)C)C(C3OC(=O)C)OC(=O)C)OC9C(C8CCC7(C6(CCC5(CCC(C(=O)NC4CCCCC4)(CC5C6=CC(C7C8(CC9)C)=O)C)C)C)C)(C)C)C(NC%10CCCCC%10)=O)=O
• InChI: 1S/C70H105N3O18/c1-38(74)83-51-53(84-39(2)75)58(89-52-54(85-40(3)76)57(86-41(4)77)62(87-42(5)78)90-56(52)61(81)72-44-24-18-14-19-25-44)63(91-55(51)60(80)71-43-22-16-13-17-23-43)88-50-29-30-68(10)49(65(50,6)7)28-31-70(12)59(68)48(79)36-46-47-37-67(9,64(82)73-45-26-20-15-21-27-45)33-32-66(47,8)34-35-69(46,70)11/h36,43-45,47,49-59,62-63H,13-35,37H2,1-12H3,(H,71,80)(H,72,81)(H,73,82)
• InChIKey: DETZTCMXJLATJH-UHFFFAOYSA-N

Properties

• Density: 1.25g/cm³ (Cal.)