[(1S,3R,4S,4aR,8R,8aS)-3,4,8a-trimethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] acetate
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![[(1S,3R,4S,4aR,8R,8aS)-3,4,8a-trimethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b132e12b6dbe4274a7abe1cb4dcfcbb5.png "[(1S,3R,4S,4aR,8R,8aS)-3,4,8a-trimethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] acetate")
[(1S,3R,4S,4aR,8R,8aS)-3,4,8a-trimethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] acetate
structure -
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CAS No:
82231-14-9
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Formula:
C22H32O5
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Chemical Name:
[(1S,3R,4S,4aR,8R,8aS)-3,4,8a-trimethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] acetate
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Synonyms:
ajugarin-v;UNII-5UJ9EW4S52;5UJ9EW4S52;Ajugarin V;82231-14-9;DTXSID401002574;Q27262893;2(5H)-Furanone, 4-(2-(8-(acetyloxy)octahydro-5,6,8a-trimethylspiro(naphthalene-1(2H),2'-oxiran)-5-yl)ethyl)-, (1R-(1alpha,4abeta,5beta,6alpha,8alpha,8aalpha))-;5,6,8a-Trimethyl-5-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]octahydro-2H-spiro[naphthalene-1,2'-oxiran]-8-yl acetate
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CAS No:
[(1S,3R,4S,4aR,8R,8aS)-3,4,8a-trimethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] acetate Basic Attributes
376.5 g/mol
376.22497412 g/mol
5UJ9EW4S52
Computed Properties
Molecular Weight:376.5
XLogP3:3.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:376.22497412
Monoisotopic Mass:376.22497412
Topological Polar Surface Area:65.1
Heavy Atom Count:27
Complexity:684
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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