Methyl (1R,2S)-2-[(1aR,3S,3aR,4R,5S,6R,7aS)-4,5-bis(acetyloxy)-3-(3-furanyl)octahydro-3a-methyl-7-methyleneindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxo-3-cyclohexene-1-acetate
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![Methyl (1R,2S)-2-[(1aR,3S,3aR,4R,5S,6R,7aS)-4,5-bis(acetyloxy)-3-(3-furanyl)octahydro-3a-methyl-7-methyleneindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxo-3-cyclohexene-1-acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/eabd43cfa62c4375a3a14b94e1015227.png "Methyl (1R,2S)-2-[(1aR,3S,3aR,4R,5S,6R,7aS)-4,5-bis(acetyloxy)-3-(3-furanyl)octahydro-3a-methyl-7-methyleneindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxo-3-cyclohexene-1-acetate")
Methyl (1R,2S)-2-[(1aR,3S,3aR,4R,5S,6R,7aS)-4,5-bis(acetyloxy)-3-(3-furanyl)octahydro-3a-methyl-7-methyleneindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxo-3-cyclohexene-1-acetate
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CAS No:
66610-71-7
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Formula:
C31H38O9
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Chemical Name:
Methyl (1R,2S)-2-[(1aR,3S,3aR,4R,5S,6R,7aS)-4,5-bis(acetyloxy)-3-(3-furanyl)octahydro-3a-methyl-7-methyleneindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxo-3-cyclohexene-1-acetate
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Synonyms:
3-Cyclohexene-1-acetic acid,2-[(1aR,3S,3aR,4R,5S,6R,7aS)-4,5-bis(acetyloxy)-3-(3-furanyl)octahydro-3a-methyl-7-methyleneindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxo-,methyl ester,(1R,2S)-;24-Nor-6,7-secochola-1,7,20,22-tetraene-6-carboxylic acid,11,12-bis(acetyloxy)-14,15:21,23-diepoxy-4,4-dimethyl-3-oxo-,methyl ester,(5β,11α,12α,13α,14β,15β,17α)-;Methyl (1R,2S)-2-[(1aR,3S,3aR,4R,5S,6R,7aS)-4,5-bis(acetyloxy)-3-(3-furanyl)octahydro-3a-methyl-7-methyleneindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxo-3-cyclohexene-1-acetate;Toonacilin;3-Cyclohexene-1-acetic acid,2-[4,5-bis(acetyloxy)-3-(3-furanyl)octahydro-3a-methyl-7-methyleneindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxo-,methyl ester,[1aR-[1aα,3α,3aα,4α,5α,6β(1R*,2S*),7aS*]]-
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CAS No:
Methyl (1R,2S)-2-[(1aR,3S,3aR,4R,5S,6R,7aS)-4,5-bis(acetyloxy)-3-(3-furanyl)octahydro-3a-methyl-7-methyleneindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxo-3-cyclohexene-1-acetate Basic Attributes
554.62802
554.63
Computed Properties
Molecular Weight:554.6
XLogP3:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:554.25158279
Monoisotopic Mass:554.25158279
Topological Polar Surface Area:122
Heavy Atom Count:40
Complexity:1170
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Methyl (1R,2S)-2-[(1aR,3S,3aR,4R,5S,6R,7aS)-4,5-bis(acetyloxy)-3-(3-furanyl)octahydro-3a-methyl-7-methyleneindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxo-3-cyclohexene-1-acetate
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