2-[6-[[2-[5-[5-(1,5-dihydroxy-2,4-dimethylhexyl)-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]propanoic acid
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![2-[6-[[2-[5-[5-(1,5-dihydroxy-2,4-dimethylhexyl)-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a876bfd99b144d9c9c56c5412466ff2b.png "2-[6-[[2-[5-[5-(1,5-dihydroxy-2,4-dimethylhexyl)-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]propanoic acid")
2-[6-[[2-[5-[5-(1,5-dihydroxy-2,4-dimethylhexyl)-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]propanoic acid
structure -
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CAS No:
71641-04-8
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Formula:
C40H70O10
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Chemical Name:
2-[6-[[2-[5-[5-(1,5-dihydroxy-2,4-dimethylhexyl)-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]propanoic acid
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Synonyms:
dihydrogrisorixin;Dihydrogrisorixin;71641-04-8;DTXSID80919040;92630-01-8;Nigericin, 25,29-deepoxy-30-deoxy-25-hydroxy-;2-[6-({2-[5'-(1,5-Dihydroxy-2,4-dimethylhexyl)-2,3'-dimethyl[2,2'-bioxolan]-5-yl]-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl}methyl)-3-methyloxan-2-yl]propanoic acid
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CAS No:
2-[6-[[2-[5-[5-(1,5-dihydroxy-2,4-dimethylhexyl)-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]propanoic acid Basic Attributes
711.0 g/mol
710.49689843 g/mol
Computed Properties
Molecular Weight:711.0
XLogP3:6.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:12
Exact Mass:710.49689843
Monoisotopic Mass:710.49689843
Topological Polar Surface Area:133
Heavy Atom Count:50
Complexity:1150
Undefined Atom Stereocenter Count:19
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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