ESTRANE-3,17-DIONE, (5.ALPHA.)-

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H26O2
Molecular Weight	274.3978
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ESTRANE-3,17-DIONE, (5.ALPHA.)-

Structure Search

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])CC(=O)CC[C@]34[H]

InChI

InChIKey=CRDKSBHJIGNEOH-IMRIKWHGSA-N

InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-16H,2-10H2,1H3/t11-,13-,14+,15+,16-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H26O2
Molecular Weight	274.3978
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:29:26 GMT 2023` Edited by `admin` on `Sat Dec 16 10:29:26 GMT 2023`
Record UNII	M6NR2239PB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTRANE-3,17-DIONE, (5.ALPHA.)-

Systematic Name

English

(5.ALPHA.)-ESTRANE-3,17-DIONE

Systematic Name

English

J2.346.560D

Code

English

Code System Code Type Description

FDA UNII

M6NR2239PB

Created by admin on Sat Dec 16 10:29:26 GMT 2023 , Edited by admin on Sat Dec 16 10:29:26 GMT 2023

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PUBCHEM

5288172

Created by admin on Sat Dec 16 10:29:26 GMT 2023 , Edited by admin on Sat Dec 16 10:29:26 GMT 2023

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DRUG BANK

DB04693

Created by admin on Sat Dec 16 10:29:26 GMT 2023 , Edited by admin on Sat Dec 16 10:29:26 GMT 2023

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EPA CompTox

DTXSID00972415

Created by admin on Sat Dec 16 10:29:26 GMT 2023 , Edited by admin on Sat Dec 16 10:29:26 GMT 2023

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CAS

5696-58-2

Created by admin on Sat Dec 16 10:29:26 GMT 2023 , Edited by admin on Sat Dec 16 10:29:26 GMT 2023

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