(1R,3R,4aS,10aR)-6-chloro-3-hydroxy-7-[(2R)-1-hydroxypropan-2-yl]-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
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![(1R,3R,4aS,10aR)-6-chloro-3-hydroxy-7-[(2R)-1-hydroxypropan-2-yl]-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/428047676e9f46f2acc51c1d97773ffa.png "(1R,3R,4aS,10aR)-6-chloro-3-hydroxy-7-[(2R)-1-hydroxypropan-2-yl]-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid")
(1R,3R,4aS,10aR)-6-chloro-3-hydroxy-7-[(2R)-1-hydroxypropan-2-yl]-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
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CAS No:
88147-76-6
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Formula:
C20H27ClO4
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Chemical Name:
(1R,3R,4aS,10aR)-6-chloro-3-hydroxy-7-[(2R)-1-hydroxypropan-2-yl]-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
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Synonyms:
88147-76-6;DTXSID601007970;(1R,3R,4aS,10aR)-6-Chloro-3-hydroxy-7-((2R)-1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid;1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(2-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R-(1alpha,3alpha,4abeta,7(R*),10aalpha))-;12-Chloro-2,16-dihydroxyabieta-8(14),9(11),12-trien-18-oic acid
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CAS No:
(1R,3R,4aS,10aR)-6-chloro-3-hydroxy-7-[(2R)-1-hydroxypropan-2-yl]-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid Basic Attributes
366.9 g/mol
366.1597870 g/mol
Computed Properties
Molecular Weight:366.9
XLogP3:3.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:366.1597870
Monoisotopic Mass:366.1597870
Topological Polar Surface Area:77.8
Heavy Atom Count:25
Complexity:526
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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