109062-00-2

Basic information

• Product Name: (2R)-3-[(2R,4S)-2α-Hydroxy-4β-(β-D-glucopyranosyloxy)-6,6-dimethylcyclohexane-1-ylidene]propenal
• Synonyms: (2R)-3-[(2R,4S)-2α-Hydroxy-4β-(β-D-glucopyranosyloxy)-6,6-dimethylcyclohexane-1-ylidene]propenal;Icariside B1
• CAS NO: 109062-00-2
• Molecular Formula: C₁₉H₃₀O₈
• Molecular Weight: 386.4367
• Mol File: 109062-00-2.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 602.674°C at 760 mmHg
• Flash Point: 210.427°C
• Appearance: /
• Density: 1.301g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.566
• PKA: 12.91±0.70(Predicted)
• CAS DataBase Reference: (2R)-3-[(2R,4S)-2α-Hydroxy-4β-(β-D-glucopyranosyloxy)-6,6-dimethylcyclohexane-1-ylidene]propenal(CAS DataBase Reference)
• NIST Chemistry Reference: (2R)-3-[(2R,4S)-2α-Hydroxy-4β-(β-D-glucopyranosyloxy)-6,6-dimethylcyclohexane-1-ylidene]propenal(109062-00-2)
• EPA Substance Registry System: (2R)-3-[(2R,4S)-2α-Hydroxy-4β-(β-D-glucopyranosyloxy)-6,6-dimethylcyclohexane-1-ylidene]propenal(109062-00-2)

Safety Data

• Hazardous Substances Data: 109062-00-2(Hazardous Substances Data)

Usage

Description

(2R)-3-[(2R,4S)-2α-Hydroxy-4β-(β-D-glucopyranosyloxy)-6,6-dimethylcyclohexane-1-ylidene]propenal is a complex chemical compound characterized by a cyclohexane structure with a glucopyranosyloxy group and a propenal functional group. (2R)-3-[(2R,4S)-2α-Hydroxy-4β-(β-D-glucopyranosyloxy)-6,6-dimethylcyclohexane-1-ylidene]propenal exhibits a stereochemistry of 2R,4S and 2α-Hydroxy-4β, with a cyclohexane-1-ylidene backbone. Its unique structure and functional groups suggest potential biological activities and applications, with the glucopyranosyloxy group indicating possible interactions with biological systems and the propenal functional group suggesting reactivity with nucleophilic molecules.

Uses

Used in Pharmaceutical Industry:
(2R)-3-[(2R,4S)-2α-Hydroxy-4β-(β-D-glucopyranosyloxy)-6,6-dimethylcyclohexane-1-ylidene]propenal is used as a pharmaceutical candidate for various applications due to its unique structure and functional groups. The presence of a glucopyranosyloxy group may allow for interactions with biological systems, while the propenal functional group suggests potential reactivity with nucleophilic molecules, making it a promising candidate for drug development.
Used in Chemical Research:
(2R)-3-[(2R,4S)-2α-Hydroxy-4β-(β-D-glucopyranosyloxy)-6,6-dimethylcyclohexane-1-ylidene]propenal is used as a subject of chemical research to further understand its properties and potential uses. Its complex structure and functional groups make it an interesting molecule for studying its reactivity, interactions with biological systems, and possible applications in various fields.
Further studies and analyses would be required to fully understand the properties and potential uses of this chemical compound, as its unique structure and functional groups may offer new opportunities in various industries.

InChI:InChI=1/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(8-19(13,4)25)26-17-16(24)15(23)14(22)12(9-20)27-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6-,11-,12+,14+,15-,16+,17+,19+/m0/s1

Downstream Products

• 20489-19-4 (3R)-4-((2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)but-3-en-2-one