Picras-3-en-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)-
-
![Picras-3-en-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](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e786b41dee764e48adaecaf4c930d6f8.png "Picras-3-en-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)-")
Picras-3-en-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:
152645-84-6
-
Formula:
C28H36O11
-
Chemical Name:
Picras-3-en-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:
Picras-3-en-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)-;Picras-3-en-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,picras-3-en-21-oic acid deriv.;Bruceanol D;(+)-Bruceanol D
-
CAS No:
Description
ChEBI: A quassinoid natural product found in Brucea antidysenterica consisting of a heteropentacyclic skeleton containing a delta-lactone moiety which is substituted at the alpha-carbon by a (2E)-3,4 dimethylpent-2-enoyloxy group. It shows significant in vitro cytotoxicity towards several human tumour cell lines.
Picras-3-en-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
548.6
548.58
Characteristics
166
0.23820
1.40±0.1 g/cm3(Predicted)
726.2±60.0 °C(Predicted)
237.9ºC
1.597
2.13E-24mmHg at 25°C
Computed Properties
Molecular Weight:548.6
XLogP3:1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:548.22576196
Monoisotopic Mass:548.22576196
Topological Polar Surface Area:166
Heavy Atom Count:39
Complexity:1190
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Learn More Other Chemicals
-
2-Cyclobutene-1-carboxylic acid, 4-(chlorocarbonyl)-, methyl ester, cis- (9CI)
139591-41-6
-
Cyclopentanecarboxylic acid, 2-hydroxy-, methyl ester, (1R,2R)- (9CI)
124150-22-7
-
Cyclopenta[b]pyrrole-2-carboxylic acid, octahydro-, methyl ester, [2R-(2-alpha-,3a-ba-,6a-ba-)]- (9CI)
156557-90-3
-
Cyclohexanecarboxylic acid, 2-(acetylamino)-, methyl ester, cis- (9CI) Formula
193635-12-0
-
Cyclopropanecarboxylic acid, 2-(1-methylethenyl)-, methyl ester, trans-(-)- Formula
52148-73-9
-
2-Butenoic acid, 3-iodo-, Methyl ester, (2Z)- Formula
35588-70-6
-
Benzeneacetic acid, α-imino-3,4-dimethoxy-, methyl ester, hydrochloride (1:1) Structure
67828-59-5
-
Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)-, phosphate Structure
1263-94-1
-
What is Cyclopropanecarboxylic acid, 2-(aminomethyl)-2-methyl-, methyl ester, trans-
132592-87-1
-
What is Cyclopropanecarboxylic acid, 2-ethynyl-1-methyl-, methyl ester, (1R,2S)-rel- (9CI)
221100-77-2
Picras-3-en-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)-
SDSRequest for Quotation