[(3S,5S,8S,9S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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[(3S,5S,8S,9S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
structure -
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CAS No:
7253-11-4
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Formula:
C23H34O5
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Chemical Name:
[(3S,5S,8S,9S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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Synonyms:
3beta,17-Dihydroxy-5alpha-pregnane-11,20-dione 3-acetate;UNII-127H229L5U;C15404;NSC-53902;127H229L5U;3beta-Acetoxy-17-hydroxy-5alpha-pregnane-11,20-dione;7253-11-4;CHEBI:79905;NSC53902;ZINC4722552;J2.794.375F;5alpha-Pregnan-3beta,17-diol-11,20-dione 3-acetate;Q27149066;3 ,17-Dihydroxy-5 -pregnane-11,20-dione 3-acetate;5alpha-Pregnane-11,20-dione, 3beta,17-dihydroxy-, 3-acetate;((3S,5S,8S,9S,10S,13S,14S,17R)-17-Acetyl-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta(a)phenanthren-3-yl) acetate
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CAS No:
[(3S,5S,8S,9S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Basic Attributes
390.5 g/mol
390.24062418 g/mol
127H229L5U
53902
Computed Properties
Molecular Weight:390.5
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:390.24062418
Monoisotopic Mass:390.24062418
Topological Polar Surface Area:80.7
Heavy Atom Count:28
Complexity:716
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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