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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H24O3
Molecular Weight 288.3814
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6.ALPHA.-HYDROXYESTRADIOL

SMILES

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

InChI

InChIKey=QZZRQURPSRWTLG-WOVZSMEKSA-N
InChI=1S/C18H24O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-17,19-21H,4-7,9H2,1H3/t12-,13-,15+,16+,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H24O3
Molecular Weight 288.3814
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 06:08:22 UTC 2023
Edited
by admin
on Sat Dec 16 06:08:22 UTC 2023
Record UNII
IL75Q4KU3Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6.ALPHA.-HYDROXYESTRADIOL
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,6.ALPHA.,17.BETA.-TRIOL
Systematic Name English
E-2540
Code English
E 2540
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,6,17-TRIOL, (6.ALPHA.,17.BETA.)-
Systematic Name English
6.ALPHA.-HYDROXY-17.BETA.-ESTRADIOL
Common Name English
1,3,5-ESTRATRIENE-3,6.ALPHA.,17.BETA.-TRIOL
Common Name English
Code System Code Type Description
FDA UNII
IL75Q4KU3Q
Created by admin on Sat Dec 16 06:08:22 UTC 2023 , Edited by admin on Sat Dec 16 06:08:22 UTC 2023
PRIMARY
CAS
1229-24-9
Created by admin on Sat Dec 16 06:08:22 UTC 2023 , Edited by admin on Sat Dec 16 06:08:22 UTC 2023
PRIMARY
PUBCHEM
5284655
Created by admin on Sat Dec 16 06:08:22 UTC 2023 , Edited by admin on Sat Dec 16 06:08:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID5022516
Created by admin on Sat Dec 16 06:08:22 UTC 2023 , Edited by admin on Sat Dec 16 06:08:22 UTC 2023
PRIMARY
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