8,13-PENTADECADIEN-11-YN-2-ONE, (8Z,13Z)-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H22O
Molecular Weight	218.3346
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 8,13-PENTADECADIEN-11-YN-2-ONE, (8Z,13Z)-

Structure Search

SMILES

C\C=C/C#CC\C=C/CCCCCC(C)=O

InChI

InChIKey=MTRMYFQVGGDQQK-JYKTZQBOSA-N

InChI=1S/C15H22O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-4,8-9H,7,10-14H2,1-2H3/b4-3-,9-8-

HIDE SMILES / InChI

Molecular Formula	C15H22O
Molecular Weight	218.3346
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:21:47 GMT 2025` Edited by `admin` on `Tue Apr 01 16:21:47 GMT 2025`
Record UNII	321I77Y3EH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PENTADEC-8Z,13Z-DIEN-11-YN-2-ONE

Preferred Name

English

8,13-PENTADECADIEN-11-YN-2-ONE, (8Z,13Z)-

Systematic Name

English

8,13-PENTADECADIEN-11-YN-2-ONE, (Z,Z)-

Systematic Name

English

PENTADEC-8Z,13Z-DIEN-11-YN-2-ONE (CONSTITUENT OF ECHINACEA ANGUSTIFOLIA ROOT, ECHINACEA PALLIDA ROOT, ECHINACEA PURPUREA ROOT AND ECHINACEA PURPUREA AERIAL PARTS) [DSC]

Common Name

English

Code System Code Type Description

CAS

118853-85-3

Created by admin on Tue Apr 01 16:21:47 GMT 2025 , Edited by admin on Tue Apr 01 16:21:47 GMT 2025

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PUBCHEM

16046183

Created by admin on Tue Apr 01 16:21:47 GMT 2025 , Edited by admin on Tue Apr 01 16:21:47 GMT 2025

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FDA UNII

321I77Y3EH

Created by admin on Tue Apr 01 16:21:47 GMT 2025 , Edited by admin on Tue Apr 01 16:21:47 GMT 2025

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EPA CompTox

DTXSID60766973

Created by admin on Tue Apr 01 16:21:47 GMT 2025 , Edited by admin on Tue Apr 01 16:21:47 GMT 2025

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