81381-68-2

Basic information

• Product Name: 2-Propen-1-one, 1-(3-((1S,5R,6S)-6-(2,4-dihydroxy-3-(3-methyl-2-buteny l)benzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl)-2,4-dih ydroxyphenyl)-3-(2,4-dihydroxyphenyl)-, (2E)-
• Synonyms: 2-Propen-1-one, 1-(3-((1S,5R,6S)-6-(2,4-dihydroxy-3-(3-methyl-2-buteny l)benzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl)-2,4-dih ydroxyphenyl)-3-(2,4-dihydroxyphenyl)-, (2E)-
• CAS NO: 81381-68-2
• Molecular Formula: C₄₀H₃₈O₁₀
• Molecular Weight: 678.72372
• Mol File: 81381-68-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 956.9°C at 760 mmHg
• Flash Point: 546.3°C
• Appearance: /
• Density: 1.394g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.708
• CAS DataBase Reference: 2-Propen-1-one, 1-(3-((1S,5R,6S)-6-(2,4-dihydroxy-3-(3-methyl-2-buteny l)benzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl)-2,4-dih ydroxyphenyl)-3-(2,4-dihydroxyphenyl)-, (2E)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Propen-1-one, 1-(3-((1S,5R,6S)-6-(2,4-dihydroxy-3-(3-methyl-2-buteny l)benzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl)-2,4-dih ydroxyphenyl)-3-(2,4-dihydroxyphenyl)-, (2E)-(81381-68-2)
• EPA Substance Registry System: 2-Propen-1-one, 1-(3-((1S,5R,6S)-6-(2,4-dihydroxy-3-(3-methyl-2-buteny l)benzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl)-2,4-dih ydroxyphenyl)-3-(2,4-dihydroxyphenyl)-, (2E)-(81381-68-2)

Safety Data

• Hazardous Substances Data: 81381-68-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C40H38O10/c1-20(2)4-9-26-32(44)14-12-28(38(26)48)40(50)36-29(25-10-8-24(42)19-35(25)47)16-21(3)17-30(36)37-33(45)15-11-27(39(37)49)31(43)13-6-22-5-7-23(41)18-34(22)46/h4-8,10-15,17-19,29-30,36,41-42,44-49H,9,16H2,1-3H3/b13-6+/t29-,30-,36-/m0/s1

Upstream product

• 870-63-3 prenyl bromide 
• 165606-47-3 2',4',2,4‐tetrahydroxy‐3‐(3‐menthyl‐2‐butenyl)chalcone 
• 13709-06-3 2,4-bis(methoxymethoxy)benzaldehyde 
• 65490-08-6 2-hydroxy-4-(methoxymethoxy)acetophenone 
• 112756-05-5 <2-13C>cinnamic acid 

Relevant articles and documents

Chiral Boron Complex-Promoted Asymmetric Diels-Alder Cycloaddition and Its Application in Natural Product Synthesis

An efficient method for the asymmetric Diels-Alder cycloaddition of 2'-hydroxychalcones with acyclic or cyclic dienes has been successfully developed. The Diels-Alder cycloaddition is mediated by a chiral boron complex with VANOL, affording the corresponding products in high yields and with excellent diastereo- and enantioselectivities. This reaction enabled the enantioselective construction of cyclohexene skeletons crucial for the total synthesis of a number of Diels-Alder-type natural products (-)-nicolaioidesin C, (-)-panduratine A, (-)-kuwanon I, (+)-kuwanon J, and (-)-brosimones A and B.

Dual p-coumaroyl CoA biosynthesis in Morus alba cell cultures

Morus alba callus and cell suspension cultures specifically produce chalcomoracin (1) and kuwanon J (2) both originated from cinnamoylpolyketide intermediate. Administration of [2-13C]cinnamic acid N-acetylcysteamine thioester to the M. alba ce