 Home > Encyclopedia > (8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol

(8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol

(8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol structure

CAS No:
108646-70-4
Formula:
C20H24O3
Chemical Name:
(8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol
Synonyms:
ethinyl estriol;ethinyl estriol, (6alpha,17alpha)-isomer;ethinyl estriol, (6beta,17alpha)-isomer;ethynyl estriol;DTXSID90910801;108646-70-4;19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol

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(8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol Basic Attributes

Molecular Weight：

312.4 g/mol

Exact Mass：

312.17254462 g/mol

Characteristics

PSA：

60.7 Å²

Drug Information

MeSH Entry Terms：

ethinyl estriol

Computed Properties

Molecular Weight:312.4
XLogP3:2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:312.17254462
Monoisotopic Mass:312.17254462
Topological Polar Surface Area:60.7
Heavy Atom Count:23
Complexity:536
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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