[(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate

Modify Date: 2025-08-21 21:55:08

[(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate Structure
[(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate structure
 Common Name [(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate
CAS Number 121449-65-8 Molecular Weight 592.67400
Density 1.23g/cm3 Boiling Point 660.2ºC at 760mmHg
Molecular Formula C31H44O11 Melting Point N/A
MSDS N/A Flash Point 273.3ºC

 Names

Name [(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.23g/cm3
Boiling Point 660.2ºC at 760mmHg
Molecular Formula C31H44O11
Molecular Weight 592.67400
Flash Point 273.3ºC
Exact Mass 592.28800
PSA 144.03000
LogP 3.45560
Vapour Pressure 2.64E-17mmHg at 25°C
Index of Refraction 1.531

 Synthetic Route

(1R,4R,4aR,5S,7R,8S,8aR)-5-acetoxy-4a-(acetoxymethyl)-4-(chloromethyl)-4-hydroxy-8-((S)-2-hydroxy-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)-7,8-dimethyldecahydronaphthalen-1-yl (S)-2-methylbutanoate structure

(1R,4R,4aR,5S,7...

CAS#:121449-68-1

~%

[(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate Structure

[(1R,4aR,5S,7R,...

CAS#:121449-65-8

Literature: Shimomura, Hiroko; Sashida, Yutaka; Ogawa, Kazunori Chemical and Pharmaceutical Bulletin, 1989 , vol. 37, # 2 p. 354 - 357
Ethanoic anhydride structure

Ethanoic anhydride

CAS#:108-24-7

[5-acetyloxy-8-[2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-4a-(hydroxymethyl)-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] 2-methylbutanoate structure

[5-acetyloxy-8-...

CAS#:123297-93-8

~%

[(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate Structure

[(1R,4aR,5S,7R,...

CAS#:121449-65-8

Literature: Shimomura, Hiroko; Sashida, Yutaka; Ogawa, Kazunori Chemical and Pharmaceutical Bulletin, 1989 , vol. 37, # 4 p. 988 - 992

 Synonyms

Ajugamarin B 1
dihydroajugamarin
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Chemsrc provides CAS#:121449-65-8 MSDS, density, melting point, boiling point, structure, etc. Its name is [(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate>> amp version: [(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate

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