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(3-beta,20-beta)-29-(heptadecylamino)-11,29-dioxoolean-12-en-3-yl N-heptadecyl-2-O-(2,3,4-tri-O-acetyl-N-heptadecyl-beta-D-glucopyranuronamidosyl)-alpha-D-Glucopyranosiduronamide 3,4-diacetate
[CAS# 126145-75-3]

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Identification
Name (3-beta,20-beta)-29-(heptadecylamino)-11,29-dioxoolean-12-en-3-yl N-heptadecyl-2-O-(2,3,4-tri-O-acetyl-N-heptadecyl-beta-D-glucopyranuronamidosyl)-alpha-D-Glucopyranosiduronamide 3,4-diacetate
Synonyms [3-Acetoxy-2-(Heptadecylcarbamoyl)-6-[[11-(Heptadecylcarbamoyl)-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-(Heptadecylcarbamoyl)Tetrahydropyran-3-Yl]Oxy-Tetrahydropyran-4-Yl] Acetate; Acetic Acid [3-Acetoxy-2-[(Heptadecylamino)-Oxomethyl]-6-[[11-[(Heptadecylamino)-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-[(Heptadecylamino)-Oxomethyl]-3-Tetrahydropyranyl]Oxy]-4-Tetrahydropyranyl] Ester; Acetic Acid [3-Acetoxy-2-(Heptadecylcarbamoyl)-6-[[11-(Heptadecylcarbamoyl)-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-(Heptadecylcarbamoyl)Tetrahydropyran-3-Yl]Oxy-Tetrahydropyran-4-Yl] Ester
Molecular Structure CAS#: 126145-75-3, (3-beta,20-beta)-29-(heptadecylamino)-11,29-dioxoolean-12-en-3-yl N-heptadecyl-2-O-(2,3,4-tri-O-acetyl-N-heptadecyl-beta-D-glucopyranuronamidosyl)-alpha-D-Glucopyranosiduronamide 3,4-diacetate
Molecular Formula C103H177N3O18
Molecular Weight 1745.54
CAS Registry Number 126145-75-3
SMILES C(NC(=O)C3(CC2C1=CC(=O)C4C(C1(CCC2(CC3)C)C)(CCC7C4(CCC(OC5OC(C(OC(=O)C)C(OC(=O)C)C5OC6C(OC(=O)C)C(OC(=O)C)C(OC6C(=O)NCCCCCCCCCCCCCCCCC)OC(=O)C)C(=O)NCCCCCCCCCCCCCCCCC)C7(C)C)C)C)C)CCCCCCCCCCCCCCCC
InChI 1S/C103H177N3O18/c1-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-69-104-93(113)88-84(116-74(4)107)86(117-75(5)108)91(122-85-87(118-76(6)109)90(119-77(7)110)95(120-78(8)111)123-89(85)94(114)105-70-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-2)96(124-88)121-83-62-63-101(13)82(98(83,9)10)61-64-103(15)92(101)81(112)72-79-80-73-100(12,66-65-99(80,11)67-68-102(79,103)14)97(115)106-71-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-3/h72,80,82-92,95-96H,16-71,73H2,1-15H3,(H,104,113)(H,105,114)(H,106,115)
InChIKey MMFLYZVOXNMUER-UHFFFAOYSA-N
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