 Home > Encyclopedia > 1-(16-bromo-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethanone

1-(16-bromo-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethanone

1-(16-bromo-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethanone structure

CAS No:
14072-39-0
Formula:
C21H31BrO3
Chemical Name:
1-(16-bromo-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethanone
Synonyms:
14072-39-0;16-Bromo-3,17-dihydroxypregn-5-en-20-one;NSC96930;5-Pregnen-3.beta.,17.alpha.-diol-20-one-16.beta.-bromo;SCHEMBL5925187;DTXSID50930909;NSC-96930;NSC113014;NSC-113014;Pregn-5-en-20-one,17-dihydroxy-, (3.beta.,16.beta.)-

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1-(16-bromo-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethanone Basic Attributes

Molecular Weight：

411.4 g/mol

Exact Mass：

410.14566 g/mol

NSC Number：

113014|96930

Characteristics

PSA：

57.5 Å²

Computed Properties

Molecular Weight:411.4
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:410.14566
Monoisotopic Mass:410.14566
Topological Polar Surface Area:57.5
Heavy Atom Count:25
Complexity:631
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(16-bromo-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethanone

Basic Attributes
Characteristics
Computed Properties

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