3-METHOXYESTRA-1,3,5(10),16-TETRAENE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H24O
Molecular Weight	268.3933
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-METHOXYESTRA-1,3,5(10),16-TETRAENE

Structure Search

SMILES

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

InChI

InChIKey=HDBRXSVHQAGDAZ-YRXWBPOGSA-N

InChI=1S/C19H24O/c1-19-10-3-4-18(19)17-7-5-13-12-14(20-2)6-8-15(13)16(17)9-11-19/h3,6,8,10,12,16-18H,4-5,7,9,11H2,1-2H3/t16-,17-,18+,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H24O
Molecular Weight	268.3933
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 `Sat Dec 16 07:38:52 GMT 2023` Edited by `admin` on `Sat Dec 16 07:38:52 GMT 2023`
Record UNII	62F687D780
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-METHOXYESTRA-1,3,5(10),16-TETRAENE

Systematic Name

English

NSC-71305

Code

English

ESTRA-1,3,5(10),16-TETRAENE, 3-METHOXY-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40182571

Created by admin on Sat Dec 16 07:38:52 GMT 2023 , Edited by admin on Sat Dec 16 07:38:52 GMT 2023

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NSC

71305

Created by admin on Sat Dec 16 07:38:52 GMT 2023 , Edited by admin on Sat Dec 16 07:38:52 GMT 2023

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PUBCHEM

251117

Created by admin on Sat Dec 16 07:38:52 GMT 2023 , Edited by admin on Sat Dec 16 07:38:52 GMT 2023

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FDA UNII

62F687D780

Created by admin on Sat Dec 16 07:38:52 GMT 2023 , Edited by admin on Sat Dec 16 07:38:52 GMT 2023

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CAS

28336-31-4

Created by admin on Sat Dec 16 07:38:52 GMT 2023 , Edited by admin on Sat Dec 16 07:38:52 GMT 2023

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