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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H20O5S
Molecular Weight 348.413
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8.9-DEHYDROESTRONE SULFATE

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CCC3=C2CCC4=CC(OS(O)(=O)=O)=CC=C34

InChI

InChIKey=OCACCZZVDHCERC-WMZOPIPTSA-N
InChI=1S/C18H20O5S/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/h3,5,10,16H,2,4,6-9H2,1H3,(H,20,21,22)/t16-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H20O5S
Molecular Weight 348.413
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:32:57 GMT 2023
Edited
by admin
on Sat Dec 16 05:32:57 GMT 2023
Record UNII
WB6FBX4PC5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8.9-DEHYDROESTRONE SULFATE
Common Name English
ESTRA-1,3,5(10),8-TETRAEN-17-ONE, 3-(SULFOOXY)-
Systematic Name English
ESTRA-1,3,5(10),8-TETRAEN-17-ONE, 3-(SULFOOXY)-, (+)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30212412
Created by admin on Sat Dec 16 05:32:57 GMT 2023 , Edited by admin on Sat Dec 16 05:32:57 GMT 2023
PRIMARY
CAS
63088-90-4
Created by admin on Sat Dec 16 05:32:57 GMT 2023 , Edited by admin on Sat Dec 16 05:32:57 GMT 2023
PRIMARY
FDA UNII
WB6FBX4PC5
Created by admin on Sat Dec 16 05:32:57 GMT 2023 , Edited by admin on Sat Dec 16 05:32:57 GMT 2023
PRIMARY
PUBCHEM
9798401
Created by admin on Sat Dec 16 05:32:57 GMT 2023 , Edited by admin on Sat Dec 16 05:32:57 GMT 2023
PRIMARY