(16α)-21-(Acetyloxy)-17-hydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione
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(16α)-21-(Acetyloxy)-17-hydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione
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CAS No:
10106-41-9
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Formula:
C24H30O5
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Chemical Name:
(16α)-21-(Acetyloxy)-17-hydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione
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Synonyms:
Pregna-1,4,9(11)-triene-3,20-dione,21-(acetyloxy)-17-hydroxy-16-methyl-,(16α)-;Pregna-1,4,9(11)-triene-3,20-dione,17,21-dihydroxy-16α-methyl-,21-acetate;(16α)-21-(Acetyloxy)-17-hydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione
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CAS No:
(16α)-21-(Acetyloxy)-17-hydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione Basic Attributes
398.492
398.49
233-290-4
AOW1NH1RMD
Characteristics
80.7
3.32370
1.22g/cm3
210-213 °C
560ºC at 760mmHg
189.6ºC
1.58
7.12E-15mmHg at 25°C
(16α)-21-(Acetyloxy)-17-hydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione Use and Manufacturing
It can be added and eliminated by 3β-hydroxyprogesterone-5, 16-dien-20-one-3-acetate (ie pregnancy dienolone acetate) via (16-position double bond nitrosomethylurea) , To produce 3β-hydroxy-16β-methylprogesterone-5, 16-dien-20-one, then [16(17)-position] epoxidation, acetylation and epoxy ring opening (formation of 17α-hydroxyl And 15-position double bond), and then (15-position double bond) catalytic hydrogenation, hydrolysis (deposition of 3-position acetyl), (3-position hydroxyl) oxidation (double bond transfer to 4-position), (21-position ) Iodination, (21-position of iodine with acetoxy) replacement, bio-oxidation (introduction of 11-position hydroxyl group) (11-position hydroxyl group) sulfonylation and elimination [formation of 9(11)-double bond] .
17,21-Dihydroxy-16α-methylpregna-1,4,9(11)-triene-3,20-dione 21-Acetate is an intermediate in the synthesis of Mometasone Furoate (M490000), a tropical corticosteroid used as an anti-inflammatory agent.
Computed Properties
Molecular Weight:398.5
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:398.20932405
Monoisotopic Mass:398.20932405
Topological Polar Surface Area:80.7
Heavy Atom Count:29
Complexity:880
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(16α)-21-(Acetyloxy)-17-hydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione
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