 Home > Encyclopedia > [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 2-hydroxybenzoate

[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 2-hydroxybenzoate

[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 2-hydroxybenzoate structure

CAS No:
113844-57-8
Formula:
C25H28O4
Chemical Name:
[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 2-hydroxybenzoate
Synonyms:
MBQ1MW0VST;UNII-MBQ1MW0VST;113844-57-8;beta-Estradiol 3-salicylate;beta-Estradiol-3-salicylate;Estradiol salicylate;DTXSID70921213;17-Hydroxyestra-1(10),2,4-trien-3-yl 2-hydroxybenzoate;Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(2-hydroxybenzoate)

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[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 2-hydroxybenzoate Basic Attributes

Molecular Weight：

392.5 g/mol

Exact Mass：

392.19875937 g/mol

UNII：

MBQ1MW0VST

Characteristics

PSA：

66.8 Å²

Computed Properties

Molecular Weight:392.5
XLogP3:6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:392.19875937
Monoisotopic Mass:392.19875937
Topological Polar Surface Area:66.8
Heavy Atom Count:29
Complexity:620
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 2-hydroxybenzoate

Basic Attributes
Characteristics
Computed Properties
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