(2R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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![(2R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2cfc689f864844debab2edf0f4d54a46.png "(2R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one")
(2R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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CAS No:
3836-17-7
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Formula:
C22H32O5
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Chemical Name:
(2R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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Synonyms:
MLS002638246;NSC12175;SCHEMBL3049674;CHEMBL3250072;ZINC4428388;NSC-12175;3836-17-7;11b,17,21-trihydroxy-2a-methyl-4-pregnene-3,20-dione;2alpha-Methyl-11beta,17,21-trihydroxypregn-4-ene-3,20-dione
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CAS No:
(2R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Basic Attributes
376.5 g/mol
376.22497412 g/mol
12175
Computed Properties
Molecular Weight:376.5
XLogP3:2.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:376.22497412
Monoisotopic Mass:376.22497412
Topological Polar Surface Area:94.8
Heavy Atom Count:27
Complexity:714
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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