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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H26O2
Molecular Weight 274.3978
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9,11-SECOESTRADIOL

SMILES

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

InChI

InChIKey=QXGFVQAYQWMTSW-UBDQQSCGSA-N
InChI=1S/C18H26O2/c1-3-18(2)16(8-9-17(18)20)14-5-4-13-11-15(19)7-6-12(13)10-14/h6-7,11,14,16-17,19-20H,3-5,8-10H2,1-2H3/t14-,16+,17+,18+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
9,11-SECOESTRADIOL
Common Name English
(6R)-6-((1S,2S,3S)-2-ETHYL-3-HYDROXY-2-METHYLCYCLOPENTYL)-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL
Preferred Name English
2-NAPHTHALENOL, 6-(2-ETHYL-3-HYDROXY-2-METHYLCYCLOPENTYL)-5,6,7,8-TETRAHYDRO-, (1S-(1.ALPHA.(S*),2.BETA.,3.ALPHA.))-
Systematic Name English
Code System Code Type Description
CAS
56502-08-0
Created by admin on Mon Mar 31 23:00:36 GMT 2025 , Edited by admin on Mon Mar 31 23:00:36 GMT 2025
PRIMARY
FDA UNII
JR6Q74LDQ5
Created by admin on Mon Mar 31 23:00:36 GMT 2025 , Edited by admin on Mon Mar 31 23:00:36 GMT 2025
PRIMARY
PUBCHEM
66403
Created by admin on Mon Mar 31 23:00:36 GMT 2025 , Edited by admin on Mon Mar 31 23:00:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID50971953
Created by admin on Mon Mar 31 23:00:36 GMT 2025 , Edited by admin on Mon Mar 31 23:00:36 GMT 2025
PRIMARY