(5R,11R)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
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(5R,11R)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
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CAS No:
138090-06-9
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Formula:
C22H24O2
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Chemical Name:
(5R,11R)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
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Synonyms:
R,R-THC;(R,R)-THC;138090-06-9;(R,R)-cis-Diethyl tetrahydro-2,8-chrysenediol;(5R,11R)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol;221368-54-3;CHEMBL282489;(R,R)-5,11-DIETHYL-5,6,11,12-TETRAHYDRO-2,8-CHRYSENEDIOL;(R,R)-cis-Diethyltetrahydro-2,8-chrysenediol;(5R,11R)-5,11-DIETHYL-5,6,11,12-TETRAHYDRO-2,8-CHRYSENEDIOL;(R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL;5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol;UNII-JDD6B8E8CW;Lopac-D-8690;JDD6B8E8CW;Lopac0_000463;MLS002153151;BIDD:ER0043;GTPL2822;DTXSID6040749;SCHEMBL13352540;DTXSID501017647;HMS2232C18;HMS3261M08;HMS3268D03;ZINC3940885;Tox21_500463;BDBM50436200;AKOS024456895;CCG-204555;LP00463;SDCCGSBI-0050448.P002;NCGC00015377-01;NCGC00093877-01;NCGC00093877-02;NCGC00093877-03;NCGC00093877-04;NCGC00093877-05;NCGC00261148-01;SMR001230647;B6909;EU-0100463;D 8690;SR-01000075839;J-007095;SR-01000075839-1;BRD-K66049797-001-02-6;Q27088625;cis-5,11-Diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol;UNII-89HTC2NWF3 component MASYAWHPJCQLSW-ZIAGYGMSSA-N;(5R, 11R)-5,11-Diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol;2,8-Chrysenediol, 5,11-diethyl-5,6,11,12-tetrahydro-, cis-;2,8-Chrysenediol, 5,11-diethyl-5,6,11,12-tetrahydro-, (5R,11R)-rel-;5,11-cis-diethyl-5,6,11, 12-tetrahydrochrysene-2,8-diol (THC, rac-2b);Rel-(5R,11R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol
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CAS No:
Description
(R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol is a carbotetracyclic compound that is 5,6,11,12-tetrahydrochrysene substituted by hydroxy groups at positions 2 and 8 and by ethyl groups at positions 5 and 11 (the 5R,11R-stereoisomer). It is an agonist of ER-alpha and antagonist of ER-beta receptors. It has a role as an estrogen receptor antagonist, an estrogen receptor agonist, a geroprotector and a neuroprotective agent. It is a carbotetracyclic compound and a polyphenol.
(5R,11R)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol Basic Attributes
320.4 g/mol
320.177630004 g/mol
JDD6B8E8CW
DTXSID6040749
Computed Properties
Molecular Weight:320.4
XLogP3:5.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:320.177630004
Monoisotopic Mass:320.177630004
Topological Polar Surface Area:40.5
Heavy Atom Count:24
Complexity:452
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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