 Home > Encyclopedia > (8S,9S,13S,14S,17S)-1-chloro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

(8S,9S,13S,14S,17S)-1-chloro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

(8S,9S,13S,14S,17S)-1-chloro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol structure

CAS No:
95846-28-9
Formula:
C18H23ClO2
Chemical Name:
(8S,9S,13S,14S,17S)-1-chloro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Synonyms:
1-chloroestradiol;1-Chloroestradiol;95846-28-9;DTXSID60914790;1-Chloroestra-1(10),2,4-triene-3,17-diol;Estra-1,3,5(10)-triene-3,17-diol, 1-chloro-, (17beta)-

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(8S,9S,13S,14S,17S)-1-chloro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Basic Attributes

Molecular Weight：

306.8 g/mol

Exact Mass：

306.1386577 g/mol

Characteristics

PSA：

40.5 Å²

XLogP3：

4.2626

Melting Point：

216 - 218 °C

Drug Information

MeSH Entry Terms：

1-chloroestradiol

Computed Properties

Molecular Weight:306.8
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:306.1386577
Monoisotopic Mass:306.1386577
Topological Polar Surface Area:40.5
Heavy Atom Count:21
Complexity:414
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

95846-50-7

95846-28-9

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Guide of (8S,9S,13S,14S,17S)-1-chloro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Basic Attributes
Characteristics
Drug Information
Computed Properties
Synthesis Route

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