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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H26O3
Molecular Weight 290.3972
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9,11-SECO-11-HYDROXYESTRADIOL

SMILES

C[C@@]1(CCO)[C@@H](O)CC[C@H]1[C@@H]2CCC3=CC(O)=CC=C3C2

InChI

InChIKey=ZUYJNKZTFXYLDC-UBDQQSCGSA-N
InChI=1S/C18H26O3/c1-18(8-9-19)16(6-7-17(18)21)14-3-2-13-11-15(20)5-4-12(13)10-14/h4-5,11,14,16-17,19-21H,2-3,6-10H2,1H3/t14-,16+,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H26O3
Molecular Weight 290.3972
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:09:43 GMT 2025
Edited
by admin
on Mon Mar 31 22:09:43 GMT 2025
Record UNII
3CZ43VC7WV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Naphthalenol, 5,6,7,8-tetrahydro-6-[3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-, [1S-[1?(S*),2?,3?]]-
Preferred Name English
9,11-SECO-11-HYDROXYESTRADIOL
Common Name English
6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol
Systematic Name English
Code System Code Type Description
PUBCHEM
3043997
Created by admin on Mon Mar 31 22:09:43 GMT 2025 , Edited by admin on Mon Mar 31 22:09:43 GMT 2025
PRIMARY
CAS
56502-09-1
Created by admin on Mon Mar 31 22:09:43 GMT 2025 , Edited by admin on Mon Mar 31 22:09:43 GMT 2025
PRIMARY
EPA CompTox
DTXSID10971954
Created by admin on Mon Mar 31 22:09:43 GMT 2025 , Edited by admin on Mon Mar 31 22:09:43 GMT 2025
PRIMARY
FDA UNII
3CZ43VC7WV
Created by admin on Mon Mar 31 22:09:43 GMT 2025 , Edited by admin on Mon Mar 31 22:09:43 GMT 2025
PRIMARY