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Home > Encyclopedia > methyl 2-[(1S,7R,8S,9S,10R,13R,14S,17R)-1,7-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetate

methyl 2-[(1S,7R,8S,9S,10R,13R,14S,17R)-1,7-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetate

methyl 2-[(1S,7R,8S,9S,10R,13R,14S,17R)-1,7-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetate structure

methyl 2-[(1S,7R,8S,9S,10R,13R,14S,17R)-1,7-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetate 

structure
  • CAS No:

    58497-24-8

  • Formula:

    C22H32O5

  • Chemical Name:

    methyl 2-[(1S,7R,8S,9S,10R,13R,14S,17R)-1,7-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetate

  • Synonyms:

    derivative V;methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate;Derivatire V;58497-24-8;Derivative V;Methyl 1alpha,7alpha-dihydroxy-3-oxopregn-4-en-21-oate;DTXSID90974044;Methyl 1,7-dihydroxy-3-oxopregn-4-en-21-oate;Methyl-1alpha, 7alpha-dihydroxy-3-oxopregn-4-en-21-oate;Pregn-4-en-21-oic acid, 1,7-dihydroxy-3-oxo-, methyl ester, (1alpha,7alpha)-

methyl 2-[(1S,7R,8S,9S,10R,13R,14S,17R)-1,7-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetate Basic Attributes

376.5 g/mol

376.22497412 g/mol

Characteristics

83.8 Ų

2.6392

176.5 - 178.5 °C

Drug Information

derivative V

Computed Properties

Molecular Weight:376.5
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:376.22497412
Monoisotopic Mass:376.22497412
Topological Polar Surface Area:83.8
Heavy Atom Count:27
Complexity:684
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 2-[(1S,7R,8S,9S,10R,13R,14S,17R)-1,7-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetate

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