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Home > Encyclopedia > 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-[[(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-[[(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

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
  • CAS No:

    152645-85-7

  • Formula:

    C28H38O11

  • 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)-

  • 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

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

Characteristics

166

0.31810

1.38g/cm3

715.4ºC at 760mmHg

232.9ºC

1.585

1.21E-23mmHg at 25°C

Drug Information

bruceanol E

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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