α-D-Glucopyranosiduronamide, (3β,20β)-29-(cyclohexylamino)-11,29-dioxoolean-12-en-3-yl N-cyclohexyl-2-O-(2,3,4-tri-O-acetyl-N-cyclohexyl-β-D-glucopyranuronamidosyl)-, 3,4-diacetate (9CI)
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α-D-Glucopyranosiduronamide, (3β,20β)-29-(cyclohexylamino)-11,29-dioxoolean-12-en-3-yl N-cyclohexyl-2-O-(2,3,4-tri-O-acetyl-N-cyclohexyl-β-D-glucopyranuronamidosyl)-, 3,4-diacetate (9CI)
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CAS No:
126145-76-4
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Formula:
C70H105N3O18
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Chemical Name:
α-D-Glucopyranosiduronamide, (3β,20β)-29-(cyclohexylamino)-11,29-dioxoolean-12-en-3-yl N-cyclohexyl-2-O-(2,3,4-tri-O-acetyl-N-cyclohexyl-β-D-glucopyranuronamidosyl)-, 3,4-diacetate (9CI)
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Synonyms:
[3,4-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohe xylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptame thyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]o xy]oxan-3-yl]oxy-oxan-2-yl] acetate
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CAS No:
α-D-Glucopyranosiduronamide, (3β,20β)-29-(cyclohexylamino)-11,29-dioxoolean-12-en-3-yl N-cyclohexyl-2-O-(2,3,4-tri-O-acetyl-N-cyclohexyl-β-D-glucopyranuronamidosyl)-, 3,4-diacetate (9CI) Basic Attributes
1276.613
1275.739
Computed Properties
Molecular Weight:1276.6
XLogP3:10.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:20
Exact Mass:1275.73931351
Monoisotopic Mass:1275.73931351
Topological Polar Surface Area:273
Heavy Atom Count:91
Complexity:2810
Undefined Atom Stereocenter Count:19
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
α-D-Glucopyranosiduronamide, (3β,20β)-29-(cyclohexylamino)-11,29-dioxoolean-12-en-3-yl N-cyclohexyl-2-O-(2,3,4-tri-O-acetyl-N-cyclohexyl-β-D-glucopyranuronamidosyl)-, 3,4-diacetate (9CI)
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