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2-[(2Z,5E)-7-hydroxy-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dienyl]-3-(hydroxymethyl)-2H-furan-5-one
2-[(2Z,5E)-7-hydroxy-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dienyl]-3-(hydroxymethyl)-2H-furan-5-one
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![2-[(2Z,5E)-7-hydroxy-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dienyl]-3-(hydroxymethyl)-2H-furan-5-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/cfcc0df514f54e099b8a47c688383df5.png "2-[(2Z,5E)-7-hydroxy-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dienyl]-3-(hydroxymethyl)-2H-furan-5-one")
2-[(2Z,5E)-7-hydroxy-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dienyl]-3-(hydroxymethyl)-2H-furan-5-one
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CAS No:
147663-79-4
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Formula:
C25H38O5
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Chemical Name:
2-[(2Z,5E)-7-hydroxy-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dienyl]-3-(hydroxymethyl)-2H-furan-5-one
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Synonyms:
Luffariolide G;
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CAS No:
2-[(2Z,5E)-7-hydroxy-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dienyl]-3-(hydroxymethyl)-2H-furan-5-one Basic Attributes
418.56600
418.27192431
Computed Properties
Molecular Weight:418.6
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:418.27192431
Monoisotopic Mass:418.27192431
Topological Polar Surface Area:87
Heavy Atom Count:30
Complexity:741
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2-[(2Z,5E)-7-hydroxy-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dienyl]-3-(hydroxymethyl)-2H-furan-5-one
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