90044-20-5

Basic information

• Product Name: (4aR)-7β-Ethenyl-4,4a,4bβ,5,6,7,10,10aβ-octahydro-1,1,4aα,7-tetramethyl-2,9(1H,3H)-phenanthrenedione
• Synonyms: (4aR)-7β-Ethenyl-4,4a,4bβ,5,6,7,10,10aβ-octahydro-1,1,4aα,7-tetramethyl-2,9(1H,3H)-phenanthrenedione;ent-8(14),15-Isopimaradiene-3,7-dione;Oryzalexin C
• CAS NO: 90044-20-5
• Molecular Formula: C20H28O2
• Molecular Weight: 300.43512
• Mol File: 90044-20-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 413.8°C at 760 mmHg
• Flash Point: 154.8°C
• Appearance: /
• Density: 1.05g/cm³
• Vapor Pressure: 4.66E-07mmHg at 25°C
• Refractive Index: 1.528
• CAS DataBase Reference: (4aR)-7β-Ethenyl-4,4a,4bβ,5,6,7,10,10aβ-octahydro-1,1,4aα,7-tetramethyl-2,9(1H,3H)-phenanthrenedione(CAS DataBase Reference)
• NIST Chemistry Reference: (4aR)-7β-Ethenyl-4,4a,4bβ,5,6,7,10,10aβ-octahydro-1,1,4aα,7-tetramethyl-2,9(1H,3H)-phenanthrenedione(90044-20-5)
• EPA Substance Registry System: (4aR)-7β-Ethenyl-4,4a,4bβ,5,6,7,10,10aβ-octahydro-1,1,4aα,7-tetramethyl-2,9(1H,3H)-phenanthrenedione(90044-20-5)

Safety Data

• Hazardous Substances Data: 90044-20-5(Hazardous Substances Data)

Usage

General Description

The chemical "(4aR)-7β-Ethenyl-4,4a,4bβ,5,6,7,10,10aβ-octahydro-1,1,4aα,7-tetramethyl-2,9(1H,3H)-phenanthrenedione" is a complex organic compound with a molecular formula C22H30O2. It is a dione derivative and belongs to the class of phenanthrenes. This chemical has a rigid and complex structure, containing multiple methyl groups and a double bond. The presence of the ethenyl group suggests that it contains a carbon-carbon double bond, and its molecular structure indicates that it is a cyclic compound. The chemical's properties and potential uses may vary depending on its specific application and the synthesis method used to produce it.

InChI:InChI=1/C20H28O2/c1-6-19(4)9-7-14-13(12-19)15(21)11-16-18(2,3)17(22)8-10-20(14,16)5/h6,12,14,16H,1,7-11H2,2-5H3/t14-,16-,19-,20+/m1/s1

Upstream product

• 105996-99-4 (1R,4S)-4,7,7-Trimethyl-3-oxo-2-oxa-bicyclo[2.2.1]heptane-1-carboxylic acid (2R,4aS,4bR,7S,10aS)-1,1,4a,7-tetramethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-phenanthren-2-yl ester 
• 105996-98-3 (1R,4R,5S)-6,6-Dimethyl-4-((2R,4aS,4bR,7S,10aS)-1,1,4a,7-tetramethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-phenanthren-2-yloxy)-3-oxa-bicyclo[3.1.0]hexan-2-one 
• 105997-03-3 Acetic acid (2R,4aR,4bS,7S,10aS)-1,1,4a,7-tetramethyl-9-oxo-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-phenanthren-2-yl ester 
• 75886-39-4 Acetic acid (2R,4aR,4bS,7S,9S,10aS)-9-hydroxy-1,1,4a,7-tetramethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-phenanthren-2-yl ester 
• 30294-99-6 Acetic acid (2R,4aS,4bR,7S,10aS)-1,1,4a,7-tetramethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-phenanthren-2-yl ester 
• 4728-30-7 (+/-) - 3β-hydroxyisopimara-8(14),15-diene 
• 30294-96-3 (+)-ent-3β-hydroxyisopimara-8(14),15-diene 
• 105996-91-6 (+/-) - 3α-t-butyldimethylsilyloxy-13-butylthiomethylene-4α,4β,10α-trimethyl-14 oxo-5β,8α,9β-perhydrophenanthrene 
• 105996-94-9 (+/-) - 3α-t-butyldimethylsilyloxy-13-formyl-4α,4β,10α,13-tetramethyl-1,2,3,4,5β,6,7,9β,10,11,12,13-dodecahydrophenanthrene 
• 105996-93-8 (+/-) - 3α-t-butyldimethylsilyloxy-13-formyl-4α,4β,10α-trimethyl-1,2,3,4,5β,6,7,8α,9β,10,11,12-dodecahydrophenanthrene 
• 105996-96-1 tert-Butyl-dimethyl-((2S,4aR,4bS,10aR)-1,1,4a,7-tetramethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-phenanthren-2-yloxy)-silane 
• 105996-90-5 Formic acid (4aR,4bS,8aR,10aR)-7-[1-butylsulfanyl-meth-(Z)-ylidene]-1,1,4a-trimethyl-8-oxo-tetradecahydro-phenanthren-2-yl ester 
• 105996-89-2 (+/-) - 13-butylthiomethylene-3α-hydroxy-4α,4β,10α-trimethyl-14-oxo-5β,8α,9β-perhydrophenanthrene 
• 85394-31-6 (+)-oryzalexin-A 

Relevant articles and documents

SYNTHESIS OF ORYZALEXINS A, B AND C, THE DITERPENOIDAL PHYTOALEXINS ISOLATED FROM RICE BLAST LEAVES INFECTED WITH PYRICULARIA ORIZAE

Naturally occurring enantiomers of three diterpenes isolated as phytoalexins from rice blast leaves were synthesized: (+)-oryzalexin.A (ent-3β-hydroxyisopimara-8(14), 15-dien-7-one,1), (+)-oryzalexin B (ent-7α-hydroxyisopimara-8(14), 15-dien-3-one,2) and (+)-oryzalexin C (ent-isopimara-8(14), 15-diene-3,7-dione, 3).Their antipodes were also synthesized.