(3aS,4S,7R,7aR)-7-hydroxy-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
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![(3aS,4S,7R,7aR)-7-hydroxy-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e06b82f93b834d17bdd8f90a8b73ec13.png "(3aS,4S,7R,7aR)-7-hydroxy-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione")
(3aS,4S,7R,7aR)-7-hydroxy-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
structure -
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CAS No:
79683-94-6
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Formula:
C19H24O4
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Chemical Name:
(3aS,4S,7R,7aR)-7-hydroxy-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
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Synonyms:
12-hydroxysecophenol;3,12-dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione;3,12-DSATD;79683-94-6;12-Hydroxysecophenol;3,12-Dsatd;SCHEMBL10947871;DTXSID801000663;3,12-Dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione;(3aS,4S,7R,7aR)-7-hydroxy-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione;Hexahydro-7-hydroxy-4-(2-(5-hydroxy-2-methylphenyl)ethyl)-7a-methyl-1H-indene-1,5(4H)-dione (3aS-(3aalpha,4alpha,7beta,7abeta))-;3,12-Dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione;1H-Indene-1,5(4H)-dione, hexahydro-7-hydroxy-4-(2-(5-hydroxy-2-methylphenyl)ethyl)-7a-methyl-, (3aS-(3aalpha,4alpha,7beta,7abeta))-
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CAS No:
(3aS,4S,7R,7aR)-7-hydroxy-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione Basic Attributes
316.4 g/mol
316.16745924 g/mol
Computed Properties
Molecular Weight:316.4
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:316.16745924
Monoisotopic Mass:316.16745924
Topological Polar Surface Area:74.6
Heavy Atom Count:23
Complexity:488
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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