Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-butanoate
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Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-butanoate
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CAS No:
18069-79-9
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Formula:
C22H30O3
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Chemical Name:
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-butanoate
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Synonyms:
Estra-1,3,5(10)-triene-3,17-diol (17β)-,17-butanoate;Estradiol,17-butyrate;Butyric acid,17-ester with estradiol
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CAS No:
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-butanoate Basic Attributes
342.4718
342.47
241-977-5
340308DJ8M
Characteristics
46.5
5.4
1.15g/cm3
166.5-167.0 °C
474.3ºC at 760mmHg
188ºC
1.572
1.27E-09mmHg at 25°C
Safety Information
P261, P264, P270, P285, P301+P312, P304+P341, P330, P342+P311, P501
H302
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P285, P301+P312, P304+P341, P330, P342+P311, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-butanoate Use and Manufacturing
An Estradiol (E888000) 17-monoester. Short-chain fatty acid esters have a higher binding potency to the estrogen receptor than long-chain fatty acid esters. ge form from which estradiol is released by enzymic hydrolysis.
Computed Properties
Molecular Weight:342.5
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:342.21949481
Monoisotopic Mass:342.21949481
Topological Polar Surface Area:46.5
Heavy Atom Count:25
Complexity:504
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-butanoate
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