Isovaltrate
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Isovaltrate
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CAS No:
31078-10-1
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Formula:
C22H30O8
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Chemical Name:
Isovaltrate
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Synonyms:
Butanoic acid,3-methyl-,(1S,2′R,6S,7aS)-6-(acetyloxy)-6,7a-dihydro-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2′-oxiran]-1-yl ester;Butanoic acid,3-methyl-,6-(acetyloxy)-6,7a-dihydro-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2′-oxiran]-1-yl ester,[1S-(1α,6α,7β,7aα)]-;Spiro[cyclopenta[c]pyran-7(1H),2′-oxirane],butanoic acid deriv.;Isovaltratum;Isovaltrate;31687-78-2
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CAS No:
Computed Properties
Molecular Weight:422.5
XLogP3:1.8
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:422.19406791
Monoisotopic Mass:422.19406791
Topological Polar Surface Area:101
Heavy Atom Count:30
Complexity:765
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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