Estradiol 17-sulfate

HCID 66429
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Basic information

CAS
3233-69-0
Standard SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)O
InChIKey
JSUDNGPWAXYETN-ZBRFXRBCSA-N
Molecular formula
C18H24O5S
Average molar mass
352.4 g/mol
Monoisotopic mass
352.13444487

Overview

17beta-estradiol 17-sulfate is a steroid sulfate obtained by the formal condensation of sulfuric acid with the 17-hydroxy group of 17beta-estradiol. It has a role as a human urinary metabolite. It is a steroid sulfate, a phenolic steroid and a 3-hydroxy steroid. It is functionally related to a 17beta-estradiol. It is a conjugate acid of a 17beta-estradiol 17-sulfate(1-).

Names & identifiers

Preferred name
Estradiol 17-sulfate
IUPAC
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
English name
estradiol 17-sulfate
Molecular formula
C18H24O5S
Molecular weight
352.45

Names & synonyms

Estradiol 17-sulfate3233-69-0Estradiol-17-sulfateDTXSID50954120RefChem:137910DTXCID801382152estradiol 17beta-sulfateEstradiol 17Beta-sulfate (>90%)[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate3-hydroxyestra-1(10),2,4-trien-17beta-yl hydrogen sulfate17beta-estradiol 17-sulfateEstra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-(hydrogen sulfate)
Show more names
Estradiol 17β-sulfate17β-Estradiol-17-sulfate17β-Estradiol 17-Sulphate Sodium Salt17β-Estradiol 17-Sulphate, Sodium Salt17β-(Sulfooxy)estra-1,3,5(10)-triene-3-ol1,3,5(10)-Estratriene-3,17β-diol 17-sulfateSulfuric acid 3-hydroxyestra-1,3,5(10)-triene-17β-yl ester1, 3, 5(10)-ESTRATRIEN-3, 17β-DIOL 17-SULPHATE, SODIUM SALT
17beta-estradiol-17-sulfateRXS2JRB6Z8SCHEMBL454879estradiol 17-(hydrogen sulfate)CHEBI:1911923,17beta-dihydroxyestra-1,3,5(10)-triene 17-sulfateestra-1,3,5(10)-triene-3,17beta-diol 17beta-(hydrogen sulfate)(17beta)-estra-1,3,5(10)-triene-3,17-diol 17-(hydrogen sulfate)

Database identifiers

CAS
3233-69-0
PubChem CID
66429
DTXSID
DTXSID50954120
ChEBI
CHEBI:191192
UNII
RXS2JRB6Z8
Nikkaji
J401.178C

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
92.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
24

Chemistry & industry

Applications

UsesEstradiol 17β-sulfate is a naturally occuring steroid in whihc can be converted into Estradiol(E888000)

Suppliers10 total

艾吉析科技（上海）有限公司17717235263 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
深圳鼎邦化学品有限公司15616500668 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
Additional notes · 1 item

DefinitionChEBI: 17beta-estradiol 17-sulfate is a steroid sulfate obtained by the formal condensation of sulfuric acid with the 17-hydroxy group of 17beta-estradiol. It has a role as a human urinary metabolite. It is a phenolic steroid, a 3-hydroxy steroid and a steroid sulfate. It is functionally related to a 17beta-estradiol. It is a conjugate acid of a 17beta-estradiol 17-sulfate(1-).

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