16-Epiestriol
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16-Epiestriol
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CAS No:
547-81-9
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Formula:
C18H24O3
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Chemical Name:
16-Epiestriol
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Synonyms:
Estra-1,3,5(10)-triene-3,16,17-triol,(16β,17β)-;Estra-1,3,5(10)-triene-3,16β,17β-triol;Estra-1,3,5(10)-triene-3,16β,17-triol;(16β,17β)-Estra-1,3,5(10)-triene-3,16,17-triol;16-Epiestriol;16-epi-Estriol;16β,17β-Estriol;16-Epiestratriol;Epiestriol;Actriol;16β-Hydroxyestradiol;NSC 26646;Epioestriol;734-83-8
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CAS No:
Description
Crystalline Solid
Solid
16beta-hydroxyestradiol is a 3-hydroxy steroid that is 17beta-estradiol substituted by a beta-hydroxy group at position 16. It has a role as a human xenobiotic metabolite and an anti-inflammatory drug. It is a 16beta-hydroxy steroid, a 17beta-hydroxy steroid, a 3-hydroxy steroid, a member of phenols and a phenolic steroid. It derives from a 17beta-estradiol. It derives from a hydride of an estrane.|A hydroxylated metabolite of ESTRADIOL or ESTRONE that has a hydroxyl group at C3, 16-alpha, and 17-beta position. Estriol is a major urinary estrogen. During PREGNANCY, a large amount of estriol is produced by the PLACENTA. Isomers with inversion of the hydroxyl group or groups are called epiestriol.
Characteristics
60.69000
2.58000
Solid
1.255g/cm3
290 °C
469ºC at 760 mmHg
220.8ºC
1.624
-20ºC Freezer
153.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Safety Information
NONH for all modes of transport
3
P201, P202, P281, P308+P313, P405, P501
H360
|Danger|H350 (50%): May cause cancer [Danger Carcinogenicity]|P201, P202, P260, P264, P270, P281, P308+P313, P314, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
16-Epiestriol Use and Manufacturing
A metabolite of Estradiol estrogen
Lipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C18 steroids (estrogens) and derivatives [ST0201]
Computed Properties
Molecular Weight:288.4
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Exact Mass:288.17254462
Monoisotopic Mass:288.17254462
Topological Polar Surface Area:60.7
Heavy Atom Count:21
Complexity:411
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes