Picras-1-en-21-oic acid, 13,20-epoxy-2-(β-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-3,16-dioxo-, methyl ester, (11β,12α,15β)-
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![Picras-1-en-21-oic acid, 13,20-epoxy-2-(β-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-3,16-dioxo-, methyl ester, (11β,12α,15β)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e1e6e7c14a434f8eabadb629ae05fc70.png "Picras-1-en-21-oic acid, 13,20-epoxy-2-(β-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-3,16-dioxo-, methyl ester, (11β,12α,15β)-")
Picras-1-en-21-oic acid, 13,20-epoxy-2-(β-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-3,16-dioxo-, methyl ester, (11β,12α,15β)-
structure -
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CAS No:
63306-30-9
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Formula:
C32H42O16
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Chemical Name:
Picras-1-en-21-oic acid, 13,20-epoxy-2-(β-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-3,16-dioxo-, methyl ester, (11β,12α,15β)-
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Synonyms:
Picras-1-en-21-oic acid,13,20-epoxy-2-(β-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-3,16-dioxo-,methyl ester,(11β,12α,15β)-;Picras-1-en-21-oic acid,13,20-epoxy-2-(β-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-butenyl)oxy]-3,16-dioxo-,methyl ester,(11β,12α,15β)-;Bruceoside A
- Categories:
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CAS No:
Picras-1-en-21-oic acid, 13,20-epoxy-2-(β-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-3,16-dioxo-, methyl ester, (11β,12α,15β)- Basic Attributes
682.668
682.67
Computed Properties
Molecular Weight:682.7
XLogP3:0.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:8
Exact Mass:682.24728525
Monoisotopic Mass:682.24728525
Topological Polar Surface Area:245
Heavy Atom Count:48
Complexity:1440
Defined Atom Stereocenter Count:15
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Picras-1-en-21-oic acid, 13,20-epoxy-2-(β-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-3,16-dioxo-, methyl ester, (11β,12α,15β)-
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