3-DEOXYESTRADIOL

C[C@]12CC[C@H]3[C@@H](CCC4=CC=CC=C34)[C@@H]1CC[C@@H]2O

InChIKey=MUENRDYXOADTOC-ZBRFXRBCSA-N

InChI=1S/C18H24O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-17,19H,6-11H2,1H3/t14-,15-,16+,17+,18+/m1/s1

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

PubMed

Title	Date	PubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006-11	16497524
Differential interactions of estrogens and antiestrogens at the 17 beta-hydroxyl or counterpart hydroxyl with histidine 524 of the human estrogen receptor alpha.	2002-06-25	12069588

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:37:50 GMT 2025` Edited by `admin` on `Mon Mar 31 20:37:50 GMT 2025`
Record UNII	4B7KRX7E7M
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

(17.BETA.)-ESTRA-1(10),2,4-TRIEN-17-OL

Preferred Name

English

3-DEOXYESTRADIOL

Common Name

English

(17.BETA.)-ESTRA-1,3,5(10)-TRIEN-17-OL

Systematic Name

English

ESTRA-1(10),2,4-TRIEN-17-OL, (17.BETA.)-

Systematic Name

English

17.BETA.-HYDROXYESTRA-1,3,5(10)-TRIENE

Systematic Name

English

ESTRA-1,3,5(10)-TRIEN-17-OL, (17.BETA.)-

Systematic Name

English

NSC-22194

Code

English

Code System Code Type Description

PUBCHEM

228944