 Home > Encyclopedia > (5S,8R,9S,10R,13S,14S)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

(5S,8R,9S,10R,13S,14S)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

(5S,8R,9S,10R,13S,14S)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one structure

CAS No:
101409-95-4
Formula:
C20H28O3
Chemical Name:
(5S,8R,9S,10R,13S,14S)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Synonyms:
19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)-;101409-95-4

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(5S,8R,9S,10R,13S,14S)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one Basic Attributes

Molecular Weight：

316.4 g/mol

Exact Mass：

316.20384475 g/mol

Characteristics

PSA：

57.5 Å²

Computed Properties

Molecular Weight:316.4
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:316.20384475
Monoisotopic Mass:316.20384475
Topological Polar Surface Area:57.5
Heavy Atom Count:23
Complexity:589
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (5S,8R,9S,10R,13S,14S)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

Basic Attributes
Characteristics
Computed Properties

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