Yunnanxane
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Yunnanxane
structure -
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CAS No:
139713-81-8
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Formula:
C31H46O9
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Chemical Name:
Yunnanxane
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Synonyms:
Butanoic acid,3-hydroxy-2-methyl-,(3S,4aS,5S,6S,7S,11S,12aS)-3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-yl ester,(2R,3S)-;Butanoic acid,3-hydroxy-2-methyl-,3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-yl ester,[3S-[3α,4aα,5α,6β,7β(2S*,3R*),11β,12aβ]]-;6,10-Methanobenzocyclodecene,butanoic acid deriv.;Yunnanxane;(+)-Yunnanxane
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CAS No:
Computed Properties
Molecular Weight:562.7
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:562.31418304
Monoisotopic Mass:562.31418304
Topological Polar Surface Area:125
Heavy Atom Count:40
Complexity:1090
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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