2-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]acetic acid
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![2-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9d8781e118e24fb9b7d409c68073c1a5.png "2-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]acetic acid")
2-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]acetic acid
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CAS No:
1428-66-6
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Formula:
C20H24O4
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Chemical Name:
2-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]acetic acid
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Synonyms:
3-O-(Carboxymethyl)estrone;UNII-5GZK739RKY;NSC86467;5GZK739RKY;1428-66-6;CHEBI:79692;Estra-1,3,5-(10)-trien-17-one-3-oxyacetic acid;MLS000737136;MLS002638385;NSC-86467;Estrone-3-O-ylacetate;SCHEMBL9176857;CHEMBL2000021;NSC14491;ZINC4428843;NSC 14491;NSC 86467;NSC-14491;NCI60_041916;C15174;estra-1,3,5(10)-trien-17-one-3-oxyacetic acid;Q27148821
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CAS No:
Description
Estra-1,3,5-(10)-trien-17-one-3-oxyacetic acid is a steroid. It derives from a hydride of an estrane.
2-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]acetic acid Basic Attributes
328.4 g/mol
328.16745924 g/mol
5GZK739RKY
86467|14491
Computed Properties
Molecular Weight:328.4
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:328.16745924
Monoisotopic Mass:328.16745924
Topological Polar Surface Area:63.6
Heavy Atom Count:24
Complexity:530
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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