78916-78-6

Basic information

• Product Name: [(1S,3R,8S,9S,10R,13R,14S,17S)-17-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3 -dihydropyran-2-yl]-1-hydroxy-ethyl]-3-hydroxy-10,13-dimethyl-2,3,4,7, 8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] ac etate
• Synonyms: [(1S,3R,8S,9S,10R,13R,14S,17S)-17-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3 -dihydropyran-2-yl]-1-hydroxy-ethyl]-3-hydroxy-10,13-dimethyl-2,3,4,7, 8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] ac etate;(-)-Physalolactone B;[22R,(-)]-1α-Acetyloxy-3β,20,22-trihydroxyergosta-5,24-diene-26-oic acid 26,22-lactone;Physalolactone B
• CAS NO: 78916-78-6
• Molecular Formula: C30H44O6
• Molecular Weight: 0
• Mol File: 78916-78-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 632.1°C at 760 mmHg
• Flash Point: 200.8°C
• Appearance: /
• Density: 1.19g/cm³
• Vapor Pressure: 1.24E-18mmHg at 25°C
• Refractive Index: 1.568
• CAS DataBase Reference: [(1S,3R,8S,9S,10R,13R,14S,17S)-17-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3 -dihydropyran-2-yl]-1-hydroxy-ethyl]-3-hydroxy-10,13-dimethyl-2,3,4,7, 8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] ac etate(CAS DataBase Reference)
• NIST Chemistry Reference: [(1S,3R,8S,9S,10R,13R,14S,17S)-17-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3 -dihydropyran-2-yl]-1-hydroxy-ethyl]-3-hydroxy-10,13-dimethyl-2,3,4,7, 8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] ac etate(78916-78-6)
• EPA Substance Registry System: [(1S,3R,8S,9S,10R,13R,14S,17S)-17-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3 -dihydropyran-2-yl]-1-hydroxy-ethyl]-3-hydroxy-10,13-dimethyl-2,3,4,7, 8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] ac etate(78916-78-6)

Safety Data

• Hazardous Substances Data: 78916-78-6(Hazardous Substances Data)

Usage

General Description

The chemical "[(1S,3R,8S,9S,10R,13R,14S,17S)-17-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxy-ethyl]-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate" is a steroid hormone with a complex chemical structure. It is a derivative of the hormone cortisol, with additional hydroxyl and acetate groups. This chemical plays a key role in regulating various physiological processes in the body, including metabolism, immune response, and stress response. It is also used in medical treatments for inflammatory and autoimmune conditions. The specific structural configuration of this chemical allows it to interact with and modulate the activity of hormone receptors in the body, exerting its effects on various cellular processes.

InChI:InChI=1/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(32)15-25(35-18(3)31)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,28+,29+,30-/m1/s1

Upstream product

• 90525-21-6 (R)-1-((1S,3R,8S,9S,10R,13S,14S,17S)-1,3-Bis-methoxymethoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-[1,3]dithian-2-yl-ethanol 
• 90525-23-8 (20R,22R)-1α,3β,20-trismethoxymethoxywitha-5,24-dienolide 
• 90582-06-2 20ξ-hydroxypregna-1,4,6-trien-3-one 
• 59042-34-1 3β,20-dihydroxypregn-5-ene 
• 145-13-1 Pregnenolone 
• 82087-30-7 C₃₆H₅₄O₁₁ 
• 108-24-7 acetic anhydride 
• 90525-24-9 (20R,22R)-3β-t-butyldimethylsilyloxy-1α,20-dihydroxywitha-5,24-dienolide 
• 90582-08-4 1α,3β-dihydroxy-20ξ-tetrahydropyranyloxypregn-5-ene 
• 90525-19-2 1α,3β-bismethoxymethoxy-20ξ-hydroxypregn-5-ene 
• 90525-22-7 (20R)-20-formyl-1α,3β,20-trismethoxymethoxypregn-5-ene 
• 90540-49-1 2-[1-((1S,3R,8S,9S,10R,13S,14S,17S)-1,3-Bis-methoxymethoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-ethoxy]-tetrahydro-pyran 
• 79240-65-6 1α,3β,20α_F-trihydroxy-20R,22R-witha-5,24-dienolide 
• 90540-50-4 (20R)-1α,3β-bismethoxymethoxy-20-formyl-20-hydroxypregn-5-ene 

Relevant articles and documents

DUNAWITHANINES A AND B, THE FIRST WITHANOLIDE GLYCOSIDES FROM DUNALIA AUSTRALIS

Withanolide D, 7β-acetoxy-withanolide D and two new withanolide glycosides, named dunawithanines A and B, were isolated from Dunalia australis.From physical data and chemical transformations, the structures of the new compounds were determined as (20R,22R)-O(3)--3β,20-dihydroxy-1α-acetoxy-witha-5,24-dienolide and the corresponding O(3)-x)-β-D-glucopyranosyl> compound, representing the first withanolide glycosides found in the plant kingdom. - Key Word Index: Dunalia australis; Solanaceae; withanolide glycosides; steroidal lactones; dunawithanines A and B.