90044-21-6

Basic information

• Product Name: (4aS)-7β-Ethenyl-3,4,4a,4bβ,5,6,7,9,10,10aβ-decahydro-9β-hydroxy-1,1,4aα,7-tetramethyl-2(1H)-phenanthrenone
• Synonyms: (+)-Oryzalexin B;(4aS)-7β-Ethenyl-3,4,4a,4bβ,5,6,7,9,10,10aβ-decahydro-9β-hydroxy-1,1,4aα,7-tetramethyl-2(1H)-phenanthrenone;ent-7α-Hydroxy-8(14),15-isopimaradien-3-one;Oryzalexin B
• CAS NO: 90044-21-6
• Molecular Formula: C20H30O2
• Molecular Weight: 302.451
• Mol File: 90044-21-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 412°Cat760mmHg
• Flash Point: 175.9°C
• Appearance: /
• Density: 1.05g/cm³
• Vapor Pressure: 1.65E-08mmHg at 25°C
• Refractive Index: 1.536
• CAS DataBase Reference: (4aS)-7β-Ethenyl-3,4,4a,4bβ,5,6,7,9,10,10aβ-decahydro-9β-hydroxy-1,1,4aα,7-tetramethyl-2(1H)-phenanthrenone(CAS DataBase Reference)
• NIST Chemistry Reference: (4aS)-7β-Ethenyl-3,4,4a,4bβ,5,6,7,9,10,10aβ-decahydro-9β-hydroxy-1,1,4aα,7-tetramethyl-2(1H)-phenanthrenone(90044-21-6)
• EPA Substance Registry System: (4aS)-7β-Ethenyl-3,4,4a,4bβ,5,6,7,9,10,10aβ-decahydro-9β-hydroxy-1,1,4aα,7-tetramethyl-2(1H)-phenanthrenone(90044-21-6)

Safety Data

• Hazardous Substances Data: 90044-21-6(Hazardous Substances Data)

Usage

General Description

The chemical "(4aS)-7β-Ethenyl-3,4,4a,4bβ,5,6,7,9,10,10aβ-decahydro-9β-hydroxy-1,1,4aα,7-tetramethyl-2(1H)-phenanthrenone" is a complex organic compound with a steroid-like structure. It contains several functional groups including an ethenyl group, a hydroxyl group, and multiple methyl groups. The compound has a 10-carbon ring structure, and its molecular formula is C22H36O2. It is likely to have various biological activities due to its similarity to natural steroids. However, further research is needed to fully understand its potential uses and effects.

InChI:InChI=1/C20H30O2/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/h6,12,14-16,21H,1,7-11H2,2-5H3/t14-,15+,16-,19-,20+/m1/s1

Upstream product

• 30295-03-5 (4aS,4bR,7S,10aS)-1,1,4a,7-Tetramethyl-7-vinyl-3,4,4a,4b,5,6,7,9,10,10a-decahydro-1H-phenanthren-2-one 
• 105996-89-2 (+/-) - 13-butylthiomethylene-3α-hydroxy-4α,4β,10α-trimethyl-14-oxo-5β,8α,9β-perhydrophenanthrene 
• 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 
• 105996-96-1 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 
• 105996-93-8 (+/-) - 3α-t-butyldimethylsilyloxy-13-formyl-4α,4β,10α-trimethyl-1,2,3,4,5β,6,7,8α,9β,10,11,12-dodecahydrophenanthrene 
• 105996-94-9 (+/-) - 3α-t-butyldimethylsilyloxy-13-formyl-4α,4β,10α,13-tetramethyl-1,2,3,4,5β,6,7,9β,10,11,12,13-dodecahydrophenanthrene 
• 105996-91-6 (+/-) - 3α-t-butyldimethylsilyloxy-13-butylthiomethylene-4α,4β,10α-trimethyl-14 oxo-5β,8α,9β-perhydrophenanthrene 
• 30294-96-3 (+)-ent-3β-hydroxyisopimara-8(14),15-diene 
• 4728-30-7 (+/-) - 3β-hydroxyisopimara-8(14),15-diene 
• 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 
• 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 

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.