Picrasan-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester, (1β,11β,12α,15β)-
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Picrasan-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester, (1β,11β,12α,15β)-
structure -
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CAS No:
152645-85-7
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Formula:
C28H38O11
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Chemical Name:
Picrasan-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester, (1β,11β,12α,15β)-
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Synonyms:
Picrasan-21-oic acid,15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-,methyl ester,(1β,11β,12α,15β)-;Picrasan-21-oic acid,15-[(3,4-dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-,methyl ester,[1β,11β,12α,15β(E)]-;2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran,picrasan-21-oic acid deriv.;Bruceanol E;(+)-Bruceanol E
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CAS No:
Description
ChEBI: A quassinoid that is the dihydro derivative of bruceanol D. Isolated from Brucea antidysenterica, it exhibits in vitro cytotoxicity towards several human tumour cell lines.
Picrasan-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester, (1β,11β,12α,15β)- Basic Attributes
550.6
550.59
Computed Properties
Molecular Weight:550.6
XLogP3:1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:550.24141202
Monoisotopic Mass:550.24141202
Topological Polar Surface Area:166
Heavy Atom Count:39
Complexity:1130
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Picrasan-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester, (1β,11β,12α,15β)-
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