[(3S,3aR,6R,6aS,8R,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-8-yl] (Z)-2-methylbut-2-enoate
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![[(3S,3aR,6R,6aS,8R,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-8-yl] (Z)-2-methylbut-2-enoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/17a17a7f0a394105ad68237698f8ac14.png "[(3S,3aR,6R,6aS,8R,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-8-yl] (Z)-2-methylbut-2-enoate")
[(3S,3aR,6R,6aS,8R,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-8-yl] (Z)-2-methylbut-2-enoate
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CAS No:
136051-63-3
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Formula:
C26H36O10
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Chemical Name:
[(3S,3aR,6R,6aS,8R,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-8-yl] (Z)-2-methylbut-2-enoate
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Synonyms:
Nortrilobolide; 2-Butenoic acid,2-methyl-,6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4-(1-oxobutoxy)azuleno(4,5-b)furan-8-yl ester,(3S-(3alpha,3abeta,4alpha,6beta,6abeta,8alpha(Z),9balpha));
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CAS No:
[(3S,3aR,6R,6aS,8R,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-8-yl] (Z)-2-methylbut-2-enoate Basic Attributes
508.55800
508.23084734
Computed Properties
Molecular Weight:508.6
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:508.23084734
Monoisotopic Mass:508.23084734
Topological Polar Surface Area:146
Heavy Atom Count:36
Complexity:1030
Defined Atom Stereocenter Count:7
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
- Hot Searches
- cobalt sulfide
- formula bicarbonate
- brentag
- jxl-069
- pbso4
- phosphorus pentoxide
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