59086-93-0

Basic information

• Product Name: 3,3-Dimethyl-6-hydroxy-9,10-dimethoxy-3H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(13H)-one
• Synonyms: 3,3-Dimethyl-6-hydroxy-9,10-dimethoxy-3H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(13H)-one;6a,12a-Dehydro-α-toxicarol;6-Hydroxy-9,10-dimethoxy-3,3-dimethyl-3H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(13H)-one;7,13-Dihydro-6-hydroxy-9,10-dimethoxy-3,3-dimethyl-3H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7-one;Dehydrotoxicarol;6a,12a-Didehydro-alpha-toxicarol
• CAS NO: 59086-93-0
• Molecular Formula: C₂₃H₂₀O₇
• Molecular Weight: 408.4
• Mol File: 59086-93-0.mol
• Article Data: 1

Chemical Properties

• Melting Point: 230-231 °C
• Boiling Point: 626.5°C at 760 mmHg
• Flash Point: 221.4°C
• Appearance: /
• Density: 1.45g/cm³
• Vapor Pressure: 2.75E-16mmHg at 25°C
• Refractive Index: 1.676
• PKA: 6.81±0.40(Predicted)
• CAS DataBase Reference: 3,3-Dimethyl-6-hydroxy-9,10-dimethoxy-3H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(13H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3-Dimethyl-6-hydroxy-9,10-dimethoxy-3H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(13H)-one(59086-93-0)
• EPA Substance Registry System: 3,3-Dimethyl-6-hydroxy-9,10-dimethoxy-3H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(13H)-one(59086-93-0)

Safety Data

• Hazardous Substances Data: 59086-93-0(Hazardous Substances Data)

Usage

General Description

3,3-Dimethyl-6-hydroxy-9,10-dimethoxy-3H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(13H)-one is a complex chemical compound with a unique molecular structure. It contains multiple functional groups, including hydroxyl and methoxy groups, arranged within a benzopyrano framework. 3,3-Dimethyl-6-hydroxy-9,10-dimethoxy-3H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(13H)-one has a fused ring system and is classified as a pyrano[3,4-b]pyran-6-one derivative. Its molecular formula is C23H20O7, and it possesses various pharmacological activities, making it of interest for potential therapeutic applications. However, further research is necessary to fully understand its biological effects and potential uses.

InChI:InChI=1/C23H20O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,24H,10H2,1-4H3

Upstream product

• 82-09-7 alpha-toxicarol 

Downstream Products

• 82-09-7 (+/-)-trans-α-toxicarol 

Relevant articles and documents

Synthesis of trans-B/C-Rotenoids: X-Ray and NMR Data for cis- and trans-Forms of Isorotenone

Reduction of 6a,12a-didehydrorotenoids with diisobutylaluminium hydride gives clean 1,4-reduction leading to unstable trans-B/C-fusions, not previously known for enolisable rotenoids: they are epimerised to stable cis-forms under acid conditions.Applied initially to isorotenone, the method is extended to trans-B/C-deguelin, α-toxicarol, the 'core' rotenoid structure and the 6aS,12aR,5'R- and 6aR,12aS,5'R-rotenone stereoisomers. 1H and 13C NMR data are compared for the cis- and trans-forms and the geometry and conformations of the isorotenones are compared by X-ray analysis, providing insight into the reasons for the instability of the trans-forms.Reduction of the ridge-tile-like cis-isorotenone by sodium borohydride occurs from one face to give a cis-12α-hydroxy product, whilst the flatter trans-structure is attacked from both faces to give trans-12α- and 12β-hydroxy products.