ESTR-5(10)-ENE-3,17-DIONE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H24O2
Molecular Weight	272.382
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ESTR-5(10)-ENE-3,17-DIONE

Structure Search

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])CC(=O)CC4

InChI

InChIKey=RORYLAUXKSWMQL-CBZIJGRNSA-N

InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h14-16H,2-10H2,1H3/t14-,15-,16+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H24O2
Molecular Weight	272.382
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:22:33 GMT 2023` Edited by `admin` on `Fri Dec 15 15:22:33 GMT 2023`
Record UNII	2BH05A59TG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTR-5(10)-ENE-3,17-DIONE

Systematic Name

English

19-NORANDROST-5(10)-ENE-3,17-DIONE

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

223-564-1

Created by admin on Fri Dec 15 15:22:33 GMT 2023 , Edited by admin on Fri Dec 15 15:22:33 GMT 2023

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CAS

3962-66-1

Created by admin on Fri Dec 15 15:22:33 GMT 2023 , Edited by admin on Fri Dec 15 15:22:33 GMT 2023

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EPA CompTox

DTXSID30960224

Created by admin on Fri Dec 15 15:22:33 GMT 2023 , Edited by admin on Fri Dec 15 15:22:33 GMT 2023

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FDA UNII

2BH05A59TG

Created by admin on Fri Dec 15 15:22:33 GMT 2023 , Edited by admin on Fri Dec 15 15:22:33 GMT 2023

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PUBCHEM

107484

Created by admin on Fri Dec 15 15:22:33 GMT 2023 , Edited by admin on Fri Dec 15 15:22:33 GMT 2023

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