1-[(1S,2S,5R,7S)-1-[2-[(2S,3S,6S,9S)-9-hydroxy-3,8,8-trimethyl-7,12-dioxatricyclo[7.2.1.01,6]dodecan-2-yl]ethyl]-2,7-dimethyl-6-oxabicyclo[3.1.1]heptan-7-yl]-4-methylpentan-3-one
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![1-[(1S,2S,5R,7S)-1-[2-[(2S,3S,6S,9S)-9-hydroxy-3,8,8-trimethyl-7,12-dioxatricyclo[7.2.1.01,6]dodecan-2-yl]ethyl]-2,7-dimethyl-6-oxabicyclo[3.1.1]heptan-7-yl]-4-methylpentan-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4e27e7609fc74bea8d6a46f5688f68dc.png "1-[(1S,2S,5R,7S)-1-[2-[(2S,3S,6S,9S)-9-hydroxy-3,8,8-trimethyl-7,12-dioxatricyclo[7.2.1.01,6]dodecan-2-yl]ethyl]-2,7-dimethyl-6-oxabicyclo[3.1.1]heptan-7-yl]-4-methylpentan-3-one")
1-[(1S,2S,5R,7S)-1-[2-[(2S,3S,6S,9S)-9-hydroxy-3,8,8-trimethyl-7,12-dioxatricyclo[7.2.1.01,6]dodecan-2-yl]ethyl]-2,7-dimethyl-6-oxabicyclo[3.1.1]heptan-7-yl]-4-methylpentan-3-one
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CAS No:
172923-51-2
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Formula:
C29H48O5
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Chemical Name:
1-[(1S,2S,5R,7S)-1-[2-[(2S,3S,6S,9S)-9-hydroxy-3,8,8-trimethyl-7,12-dioxatricyclo[7.2.1.01,6]dodecan-2-yl]ethyl]-2,7-dimethyl-6-oxabicyclo[3.1.1]heptan-7-yl]-4-methylpentan-3-one
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Synonyms:
172923-51-2;DTXSID10938244;1-{1-[2-(3-Hydroxy-2,2,7-trimethyloctahydro-6H-3,5a-epoxy-1-benzoxepin-6-yl)ethyl]-2,7-dimethyl-6-oxabicyclo[3.1.1]heptan-7-yl}-4-methylpentan-3-one
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CAS No:
1-[(1S,2S,5R,7S)-1-[2-[(2S,3S,6S,9S)-9-hydroxy-3,8,8-trimethyl-7,12-dioxatricyclo[7.2.1.01,6]dodecan-2-yl]ethyl]-2,7-dimethyl-6-oxabicyclo[3.1.1]heptan-7-yl]-4-methylpentan-3-one Basic Attributes
476.7 g/mol
476.35017463 g/mol
Computed Properties
Molecular Weight:476.7
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:476.35017463
Monoisotopic Mass:476.35017463
Topological Polar Surface Area:65
Heavy Atom Count:34
Complexity:823
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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