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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26O2
Molecular Weight 286.4085
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHOXY-ESTRA-1,3,5(10)-TRIEN-16-OL,(16.BETA.)-

SMILES

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

InChI

InChIKey=SLNMIOMHGWEGBR-QHWILLEASA-N
InChI=1S/C19H26O2/c1-19-8-7-16-15-6-4-14(21-2)9-12(15)3-5-17(16)18(19)10-13(20)11-19/h4,6,9,13,16-18,20H,3,5,7-8,10-11H2,1-2H3/t13-,16+,17+,18-,19+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3-METHOXY-ESTRA-1,3,5(10)-TRIEN-16-OL,(16.BETA.)-
Common Name English
NSC-19449
Code English
ESTRA-1,3,5(10)-TRIEN-16.BETA.-OL, 3-METHOXY-
Systematic Name English
16.BETA.-ESTRADIOL-3-METHYL ETHER
Common Name English
ESTRA-1,3,5(10)-TRIEN-16-OL, 3-METHOXY-, (16.BETA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
8H078980J4
Created by admin on Sat Dec 16 06:08:23 GMT 2023 , Edited by admin on Sat Dec 16 06:08:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID20924315
Created by admin on Sat Dec 16 06:08:23 GMT 2023 , Edited by admin on Sat Dec 16 06:08:23 GMT 2023
PRIMARY
CAS
1229-33-0
Created by admin on Sat Dec 16 06:08:23 GMT 2023 , Edited by admin on Sat Dec 16 06:08:23 GMT 2023
PRIMARY
NSC
19449
Created by admin on Sat Dec 16 06:08:23 GMT 2023 , Edited by admin on Sat Dec 16 06:08:23 GMT 2023
PRIMARY
PUBCHEM
227596
Created by admin on Sat Dec 16 06:08:23 GMT 2023 , Edited by admin on Sat Dec 16 06:08:23 GMT 2023
PRIMARY