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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H24O5S
Molecular Weight 352.445
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17.BETA.-ESTRADIOL SULFATE

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=CC=C(OS(O)(=O)=O)C=C4CC[C@@]23[H]

InChI

InChIKey=QZIGLSSUDXBTLJ-ZBRFXRBCSA-N
InChI=1S/C18H24O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H24O5S
Molecular Weight 352.445
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:39:49 UTC 2023
Edited
by admin
on Fri Dec 15 19:39:49 UTC 2023
Record UNII
4NKQ3751P6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17.BETA.-ESTRADIOL SULFATE
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)-, 3-(HYDROGEN SULFATE)
Common Name English
ESTRADIOL 3-SULFATE
Common Name English
((8R,9S,13S,14S,17S)-17-HYDROXY-13-METHYL-6,7,8,9,11,12,14,15,16,17-DECAHYDROCYCLOPENTA(A)PHENANTHREN-3-YL) HYDROGEN SULFATE
Common Name English
ESTRADIOL-3-SULFATE
Common Name English
ESTRADIOL-17BETA 3-SULFATE
Common Name English
ESTRADIOL METABOLITE (ESTRADIOL-17BETA 3-SULFATE)
Common Name English
17.BETA.-ESTRADIOL 3-SULFATE
Common Name English
ESTRADIOL, 3-(HYDROGEN SULFATE)
Common Name English
Code System Code Type Description
CAS
481-96-9
Created by admin on Fri Dec 15 19:39:49 UTC 2023 , Edited by admin on Fri Dec 15 19:39:49 UTC 2023
PRIMARY
PUBCHEM
66416
Created by admin on Fri Dec 15 19:39:49 UTC 2023 , Edited by admin on Fri Dec 15 19:39:49 UTC 2023
PRIMARY
FDA UNII
4NKQ3751P6
Created by admin on Fri Dec 15 19:39:49 UTC 2023 , Edited by admin on Fri Dec 15 19:39:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID30964000
Created by admin on Fri Dec 15 19:39:49 UTC 2023 , Edited by admin on Fri Dec 15 19:39:49 UTC 2023
PRIMARY
WIKIPEDIA
Estradiol sulfate
Created by admin on Fri Dec 15 19:39:49 UTC 2023 , Edited by admin on Fri Dec 15 19:39:49 UTC 2023
PRIMARY
MESH
C028628
Created by admin on Fri Dec 15 19:39:49 UTC 2023 , Edited by admin on Fri Dec 15 19:39:49 UTC 2023
PRIMARY
CHEBI
4866
Created by admin on Fri Dec 15 19:39:49 UTC 2023 , Edited by admin on Fri Dec 15 19:39:49 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE