ETHINYL ESTRADIOL 4-OXY DIMER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H46O4
Molecular Weight	590.7908
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETHINYL ESTRADIOL 4-OXY DIMER

Structure Search

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]3([H])C4=CC=C(OC5=C6CC[C@@]7([H])[C@]8([H])CC[C@@](O)(C#C)[C@@]8(C)CC[C@]7([H])C6=CC=C5O)C=C4CC[C@@]23[H]

InChI

InChIKey=NJQNSQBJRQOHDJ-FPISCSGHSA-N

InChI=1S/C40H46O4/c1-5-39(42)21-17-33-30-9-7-24-23-25(8-10-26(24)28(30)15-19-37(33,39)3)44-36-32-12-11-31-29(27(32)13-14-35(36)41)16-20-38(4)34(31)18-22-40(38,43)6-2/h1-2,8,10,13-14,23,28-31,33-34,41-43H,7,9,11-12,15-22H2,3-4H3/t28-,29-,30-,31-,33+,34+,37+,38+,39+,40+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H46O4
Molecular Weight	590.7908
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:58:33 GMT 2023` Edited by `admin` on `Sat Dec 16 18:58:33 GMT 2023`
Record UNII	G3Z2QA5HJP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETHINYL ESTRADIOL 4-OXY DIMER

Common Name

English

19-NORPREGNA-1,3,5(10)-TRIEN-20-YNE-3,17-DIOL, 4-(((17.ALPHA.)-17-HYDROXY-19-NORPREGNA-1,3,5(10)-TRIEN-20-YN-3-YL)OXY)-, (17.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

101064274

Created by admin on Sat Dec 16 18:58:33 GMT 2023 , Edited by admin on Sat Dec 16 18:58:33 GMT 2023

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FDA UNII

G3Z2QA5HJP

Created by admin on Sat Dec 16 18:58:33 GMT 2023 , Edited by admin on Sat Dec 16 18:58:33 GMT 2023

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CAS

303014-90-6

Created by admin on Sat Dec 16 18:58:33 GMT 2023 , Edited by admin on Sat Dec 16 18:58:33 GMT 2023

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