MACAENE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H30O3
Molecular Weight	294.429
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCC\C=C\C=C\C(=O)CCCC(O)=O

InChI

InChIKey=YVWMHFYOIJMUMN-CYZWUHAYSA-N

InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h10-12,14H,2-9,13,15-16H2,1H3,(H,20,21)/b11-10+,14-12+

HIDE SMILES / InChI

Molecular Formula	C18H30O3
Molecular Weight	294.429
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 `Fri Dec 15 19:15:43 UTC 2023` Edited by `admin` on `Fri Dec 15 19:15:43 UTC 2023`
Record UNII	28870H68FZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MACAENE

Common Name

English

5-OXO-6E,8E-OCTADECADIENOIC ACID

Common Name

English

6,8-OCTADECADIENOIC ACID, 5-OXO-, (6E,8E)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

90478988

Created by admin on Fri Dec 15 19:15:43 UTC 2023 , Edited by admin on Fri Dec 15 19:15:43 UTC 2023

PRIMARY

FDA UNII

28870H68FZ

Created by admin on Fri Dec 15 19:15:43 UTC 2023 , Edited by admin on Fri Dec 15 19:15:43 UTC 2023

PRIMARY

CAS

405906-96-9

Created by admin on Fri Dec 15 19:15:43 UTC 2023 , Edited by admin on Fri Dec 15 19:15:43 UTC 2023

PRIMARY

Related Record Type Details


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LEPIDIUM MEYENII ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

The structure elucidation of the isolated compound was based primarily on 1D and 2D NMR spectroscopic analyses, including 1H1H COSY, 1H13C HMQC, 1H13C HMBC and 1H1H NOESY experiments.