85269-23-4

Basic information

• Product Name: (2S,4aα,8aβ)-3,4,4a,5,6,7,8,8a-Octahydro-2,7β-dihydroxy-4α-(3-hydroxy-1-oxopropyl)-2,4β,5α,7α-tetramethyl-3α-[(R)-1-methylpropyl]-1(2H)-naphthalenone
• Synonyms: (2S,4aα,8aβ)-3,4,4a,5,6,7,8,8a-Octahydro-2,7β-dihydroxy-4α-(3-hydroxy-1-oxopropyl)-2,4β,5α,7α-tetramethyl-3α-[(R)-1-methylpropyl]-1(2H)-naphthalenone;Betaenone B
• CAS NO: 85269-23-4
• Molecular Formula: C21H36O5
• Molecular Weight: 368.50754
• Mol File: 85269-23-4.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 517.1°Cat760mmHg
• Flash Point: 280.6°C
• Appearance: /
• Density: 1.09g/cm³
• Vapor Pressure: 7.41E-13mmHg at 25°C
• Refractive Index: 1.502
• CAS DataBase Reference: (2S,4aα,8aβ)-3,4,4a,5,6,7,8,8a-Octahydro-2,7β-dihydroxy-4α-(3-hydroxy-1-oxopropyl)-2,4β,5α,7α-tetramethyl-3α-[(R)-1-methylpropyl]-1(2H)-naphthalenone(CAS DataBase Reference)
• NIST Chemistry Reference: (2S,4aα,8aβ)-3,4,4a,5,6,7,8,8a-Octahydro-2,7β-dihydroxy-4α-(3-hydroxy-1-oxopropyl)-2,4β,5α,7α-tetramethyl-3α-[(R)-1-methylpropyl]-1(2H)-naphthalenone(85269-23-4)
• EPA Substance Registry System: (2S,4aα,8aβ)-3,4,4a,5,6,7,8,8a-Octahydro-2,7β-dihydroxy-4α-(3-hydroxy-1-oxopropyl)-2,4β,5α,7α-tetramethyl-3α-[(R)-1-methylpropyl]-1(2H)-naphthalenone(85269-23-4)

Safety Data

• Hazardous Substances Data: 85269-23-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C21H36O5/c1-7-12(2)17-20(5,15(23)8-9-22)16-13(3)10-19(4,25)11-14(16)18(24)21(17,6)26/h12-14,16-17,22,25-26H,7-11H2,1-6H3/t12-,13-,14+,16+,17-,19-,20-,21+/m1/s1

Upstream product

• 115473-44-4 (-)-Probetaenone 
• 127718-16-5 (3R,5R)-5-[2-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-3,5-dimethyl-dihydro-furan-2-one 
• 76985-26-7 (2S,3R)-3,7-dimethyl-2,3-epoxy-6-octen-1-ol 
• 116-53-0 (-)-2-methylbutyric acid 
• 127760-70-7 (R,E)-2,4-dimethylhex-2-enal 18 
• 96-17-3 (-)-2-methylbutanal 
• 127718-21-2 C₃₇H₄₄O₆S 
• 127718-20-1 C₃₇H₄₄O₄S 
• 127718-22-3 C₃₉H₅₂O₄ 
• 127718-19-8 tert-Butyl-[(3R,5R)-3-(2-methoxy-ethoxymethoxy)-3,5-dimethyl-6-trityloxy-hexyloxy]-dimethyl-silane 
• 127718-25-6 1-[(1R,2S,4aR,6R,8R,8aS)-2-sec-Butyl-6-(2-methoxy-ethoxymethoxy)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydro-naphthalen-1-yl]-3-methoxy-propan-1-one 
• 127718-23-4 (6E,8E)-(2R,4S,10R)-4-(2-Methoxy-ethoxymethoxy)-2,4,8,10-tetramethyl-dodeca-6,8-dienal 
• 127718-15-4 (R)-5-[2-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-5-methyl-dihydro-furan-2-one 
• 127718-14-3 (-)-(R)-5-(2-hydroxyethyl)-5-methyldihydrofuran-2-one 

Downstream Products

• 85269-22-3 betaenone A 
• 85269-25-6 (-)-betaenone C 
• 85269-24-5 betaenone F 

Relevant articles and documents

Heterologous expression of highly reducing polyketide synthase involved in betaenone biosynthesis

A unique highly reducing polyketide synthase (HR-PKS) with a reductase domain was identified in a betaenone biosynthetic gene cluster. Successful heterologous expression and characterization of the HR-PKS and trans-acting enoyl reductase (ER) provide insights into the core structure formation with a decalin scaffold and allow reconstitution of the betaenone biosynthetic machinery.