82225-47-6

Basic information

• Product Name: 1-Naphthalenecarboxylic acid, 8-(acetyloxy)-5-(2-(2,5-dihydro-5-oxo-3- furanyl)ethyl)decahydro-5,6,8a-trimethyl-, methyl ester, (1R-(1alpha,4 abeta,5beta,6alpha,8alpha,8aalpha))-
• Synonyms: 1-Naphthalenecarboxylic acid, 8-(acetyloxy)-5-(2-(2,5-dihydro-5-oxo-3- furanyl)ethyl)decahydro-5,6,8a-trimethyl-, methyl ester, (1R-(1alpha,4 abeta,5beta,6alpha,8alpha,8aalpha))-;Ajugarin-IV
• CAS NO: 82225-47-6
• Molecular Formula: C23H34O6
• Molecular Weight: 406.51246
• Mol File: 82225-47-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: 119-120.5°
• Boiling Point: 508.2°Cat760mmHg
• Flash Point: 217.8°C
• Appearance: /
• Density: 1.14g/cm³
• Vapor Pressure: 1.91E-10mmHg at 25°C
• Refractive Index: 1.517
• CAS DataBase Reference: 1-Naphthalenecarboxylic acid, 8-(acetyloxy)-5-(2-(2,5-dihydro-5-oxo-3- furanyl)ethyl)decahydro-5,6,8a-trimethyl-, methyl ester, (1R-(1alpha,4 abeta,5beta,6alpha,8alpha,8aalpha))-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Naphthalenecarboxylic acid, 8-(acetyloxy)-5-(2-(2,5-dihydro-5-oxo-3- furanyl)ethyl)decahydro-5,6,8a-trimethyl-, methyl ester, (1R-(1alpha,4 abeta,5beta,6alpha,8alpha,8aalpha))-(82225-47-6)
• EPA Substance Registry System: 1-Naphthalenecarboxylic acid, 8-(acetyloxy)-5-(2-(2,5-dihydro-5-oxo-3- furanyl)ethyl)decahydro-5,6,8a-trimethyl-, methyl ester, (1R-(1alpha,4 abeta,5beta,6alpha,8alpha,8aalpha))-(82225-47-6)

Safety Data

• Hazardous Substances Data: 82225-47-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C23H34O6/c1-14-11-19(29-15(2)24)23(4)17(21(26)27-5)7-6-8-18(23)22(14,3)10-9-16-12-20(25)28-13-16/h12,14,17-19H,6-11,13H2,1-5H3/t14-,17+,18-,19+,22-,23+/m1/s1

Upstream product

• 108-24-7 acetic anhydride 
• 123297-99-4 deacetylajugarin 
• 73818-55-0 Bestmann ylide 
• 82528-09-4 (1R,4aR,5S,6R,8S,8aR)-8-Acetoxy-5-(4-hydroxy-3-oxo-butyl)-5,6,8a-trimethyl-decahydro-naphthalene-1-carboxylic acid methyl ester 
• 41019-71-0 (+/-)-3,4,8,8a-tetrahydro-5,8a-dimethyl-1,6(2H,7H)-naphthalenedione 
• 82527-89-7 1,4a-Dimethyl-5-methylene-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one 
• 82527-90-0 (1S,4aS,8aR)-1-Allyl-1,4a-dimethyl-5-methylene-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one 
• 82538-01-0 (1S,4aS,8aR)-1-Allyl-1,4a-dimethyl-5-methylene-octahydro-naphthalen-2-one 
• 82527-91-1 (1S,4aS,8aR)-1-Allyl-1,2,4a-trimethyl-5-methylene-1,2,4a,5,6,7,8,8a-octahydro-naphthalen-2-ol 
• 82527-92-2 (3R,4S,4aR,8aR)-4-Allyl-3,4,8a-trimethyl-8-methylene-octahydro-naphthalen-1-one 
• 82538-02-1 (4R,4aR,8aR)-4-Allyl-3,4,8a-trimethyl-8-methylene-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-one 
• 82527-88-6 C₁₅H₂₂OS₂ 
• 82538-03-2 (1S,2R,4S,4aR,8aR)-1-Allyl-4-methoxymethoxy-1,2,4a-trimethyl-5-methylene-decahydro-naphthalene 
• 82527-96-6 ((1S,4aS,8aR)-1-Allyl-1,4a-dimethyl-5-methylene-1,4,4a,5,6,7,8,8a-octahydro-naphthalen-2-yloxy)-trimethyl-silane 

Relevant articles and documents

NEO-CLERODANE DITERPENES FROM AJUGA CILIATA VAR. VILLOSIOR

From the aerial parts of Ajuga ciliata var. villosior, nine new neo-clerodane diterpenes have been isolated.The structures of two acetyl derivatives of (12S)-6α, 12,19-trihydroxy-1β--4,18-epoxyneo-clerod-13(14)-en-15,16-olide, three acetyl derivatives of (12S)-1β,6α,19-trihydroxy-12--4,18-epoxyneo-clerod-13(14)-en-15,16-olide, three acetyl derivatives of (12S)-6α,19-dihydroxy-12--4,18-epoxyneo-clerod-13(14)-en-15,16-olide and methyl 6α-hydroxy-4α-methoxycarbonyl-18-norneo-clerod-13(14)-en-15,16-olide were elucidated by spectroscopic methods and chemical correlation.In addition, a known neo-clerodane, ajugarin-IV, was isolated.Keywords: neo-clerodane; Ajuga ciliata var. villosior; bitter principle; diterpene; Labiatae; ajugamarin