danshenol B
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danshenol B
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CAS No:
189308-09-6
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Formula:
C22H26O4
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Chemical Name:
danshenol B
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Synonyms:
danshenol B;CHEMBL2261307;DTXSID80172335;BDBM50487949;ZINC13431690;(1R,10S)-10-hydroxy-1,6,6-trimethyl-10-(2-oxopropyl)-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-11-one;Phenanthro(1,2-b)furan-11(2H)-one, 1,6,7,8,9,10-hexahydro-10-hydroxy-1,6,6-trimethyl-10-(2-oxopropyl)-, (1R,10S)-;Phenanthro(1,2-b)furan-11(2H)-one, 1,6,7,8,9,10-hexahydro-10-hydroxy-1,6,6-trimethyl-10-(2-oxopropyl)-, (1R-trans)-
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CAS No:
Computed Properties
Molecular Weight:354.4
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:354.18310931
Monoisotopic Mass:354.18310931
Topological Polar Surface Area:63.6
Heavy Atom Count:26
Complexity:676
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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