1-METHYL-6-DEHYDROESTRONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H22O2
Molecular Weight	282.3768
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-METHYL-6-DEHYDROESTRONE

Structure Search

SMILES

CC1=CC(O)=CC2=C1[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3C=C2

InChI

InChIKey=KRCRSBUGDLOMGX-DRMAHVMPSA-N

InChI=1S/C19H22O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h3-4,9-10,14-16,20H,5-8H2,1-2H3/t14-,15+,16+,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H22O2
Molecular Weight	282.3768
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 `Mon Mar 31 22:28:54 GMT 2025` Edited by `admin` on `Mon Mar 31 22:28:54 GMT 2025`
Record UNII	8TJU8R85LB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-9782

Preferred Name

English

1-METHYL-6-DEHYDROESTRONE

Common Name

English

ESTRA-1,3,5(10),6-TETRAEN-17-ONE, 3-HYDROXY-1-METHYL-

Systematic Name

English

.DELTA.6,7-1-METHYLESTRONE

Common Name

English

Code System Code Type Description

CAS

3129-08-6

Created by admin on Mon Mar 31 22:28:54 GMT 2025 , Edited by admin on Mon Mar 31 22:28:54 GMT 2025

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FDA UNII

8TJU8R85LB

Created by admin on Mon Mar 31 22:28:54 GMT 2025 , Edited by admin on Mon Mar 31 22:28:54 GMT 2025

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EPA CompTox

DTXSID60953326

Created by admin on Mon Mar 31 22:28:54 GMT 2025 , Edited by admin on Mon Mar 31 22:28:54 GMT 2025

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PUBCHEM

222845

Created by admin on Mon Mar 31 22:28:54 GMT 2025 , Edited by admin on Mon Mar 31 22:28:54 GMT 2025

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NSC

9782

Created by admin on Mon Mar 31 22:28:54 GMT 2025 , Edited by admin on Mon Mar 31 22:28:54 GMT 2025

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