esculentagenin
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esculentagenin
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CAS No:
140231-40-9
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Formula:
C31H46O8
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Chemical Name:
esculentagenin
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Synonyms:
11-oxo-3-O-methyloleanata-12-en-2 beta,3 beta,23-trihydroxy-28-oic acid;esculentagenin;DTXSID80930750;11-Oxo-3-O-methyloleanata-12-en-2beta,3beta,23-trihydroxy-28-oic acid;(2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aS,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid;2,3,23-Trihydroxy-29-methoxy-11,29-dioxoolean-12-en-28-oic acid;Olean-12-ene-28,29-dioic acid, 2,3,23-trihydroxy-11-oxo-, 29-methyl ester, (2beta,3beta,4alpha,20beta)-
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CAS No:
Computed Properties
Molecular Weight:546.7
XLogP3:3.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:546.31926842
Monoisotopic Mass:546.31926842
Topological Polar Surface Area:141
Heavy Atom Count:39
Complexity:1130
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes