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

COC1=CC2=C(C=C1)[C@H]3CC[C@]4(C)C=CC[C@H]4[C@@H]3CC2

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 `Mon Mar 31 21:42:54 GMT 2025` Edited by `admin` on `Mon Mar 31 21:42:54 GMT 2025`
Record UNII	62F687D780
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-71305

Preferred Name

English

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

Systematic Name

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 Mon Mar 31 21:42:54 GMT 2025 , Edited by admin on Mon Mar 31 21:42:54 GMT 2025

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NSC

71305

Created by admin on Mon Mar 31 21:42:54 GMT 2025 , Edited by admin on Mon Mar 31 21:42:54 GMT 2025

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PUBCHEM

251117

Created by admin on Mon Mar 31 21:42:54 GMT 2025 , Edited by admin on Mon Mar 31 21:42:54 GMT 2025

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FDA UNII

62F687D780

Created by admin on Mon Mar 31 21:42:54 GMT 2025 , Edited by admin on Mon Mar 31 21:42:54 GMT 2025

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CAS

28336-31-4

Created by admin on Mon Mar 31 21:42:54 GMT 2025 , Edited by admin on Mon Mar 31 21:42:54 GMT 2025

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