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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26O3
Molecular Weight 302.4079
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11.BETA.-METHOXYESTRADIOL

SMILES

CO[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]3CCC4=C(C=CC(O)=C4)[C@@H]13

InChI

InChIKey=OAHDOJSNKCCHJM-VIUKOLAESA-N
InChI=1S/C19H26O3/c1-19-10-16(22-2)18-13-6-4-12(20)9-11(13)3-5-14(18)15(19)7-8-17(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16-,17-,18+,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H26O3
Molecular Weight 302.4079
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 18:33:59 UTC 2023
Edited
by admin
on Sat Dec 16 18:33:59 UTC 2023
Record UNII
R3M9HHJ34D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
11.BETA.-METHOXYESTRADIOL
Common Name English
11.BETA.-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIOL
Systematic Name English
RU-2504
Code English
11.BETA.-METHOXYESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL
Systematic Name English
(11.BETA.,17.BETA.)-11-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIOL
Systematic Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 11-METHOXY-, (11.BETA.,17.BETA.)-
Systematic Name English
ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL, 11.BETA.-METHOXY-
Systematic Name English
11.BETA.-MEOE2
Common Name English
Code System Code Type Description
WIKIPEDIA
11β-Methoxyestradiol
Created by admin on Sat Dec 16 18:33:59 UTC 2023 , Edited by admin on Sat Dec 16 18:33:59 UTC 2023
PRIMARY
CAS
21507-14-2
Created by admin on Sat Dec 16 18:33:59 UTC 2023 , Edited by admin on Sat Dec 16 18:33:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID80878441
Created by admin on Sat Dec 16 18:33:59 UTC 2023 , Edited by admin on Sat Dec 16 18:33:59 UTC 2023
PRIMARY
PUBCHEM
68568
Created by admin on Sat Dec 16 18:33:59 UTC 2023 , Edited by admin on Sat Dec 16 18:33:59 UTC 2023
PRIMARY
FDA UNII
R3M9HHJ34D
Created by admin on Sat Dec 16 18:33:59 UTC 2023 , Edited by admin on Sat Dec 16 18:33:59 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY