3-DEOXYESTRADIOL

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=CC=CC=C4CC[C@@]23[H]

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

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 00:36:29 GMT 2023` Edited by `admin` on `Sat Dec 16 00:36:29 GMT 2023`
Record UNII	4B7KRX7E7M
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

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

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