ISOPHYTOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	MIXED
Molecular Formula	C20H40O
Molecular Weight	296.531
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOPHYTOL

Structure Search

SMILES

CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C

InChI

InChIKey=KEVYVLWNCKMXJX-UHFFFAOYSA-N

InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3

HIDE SMILES / InChI

Molecular Formula	C20H40O
Molecular Weight	296.531
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

PubMed

Title	Date	PubMed
Application of histograms in evaluation of large collections of gas chromatographic retention indices.	2009 Sep 18	19683242
Fragrance material review on isophytol.	2010 Jan	20141882

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:13:27 GMT 2023` Edited by `admin` on `Fri Dec 15 20:13:27 GMT 2023`
Record UNII	A831ZI6VIM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ISOPHYTOL

Common Name

English

ISOPHYTOL [HSDB]

Common Name

English

ISOPHYTOL [MI]

Common Name

English

NSC-93744

Code

English

1-HEXADECEN-3-OL, 3,7,11,15-TETRAMETHYL-

Systematic Name

English

3,7,11,15-TETRAMETHYLHEXADEC-1-EN-3-OL

Systematic Name

English

2,6,10-TRIMETHYL-14-VINYLPENTADECAN-14-OL

Systematic Name

English

2,6,10,14-TETRAMETHYLHEXADEC-15-EN-14-OL

Systematic Name

English

Code System Code Type Description

NSC

93744

Created by admin on Fri Dec 15 20:13:27 GMT 2023 , Edited by admin on Fri Dec 15 20:13:27 GMT 2023

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CAS

505-32-8

Created by admin on Fri Dec 15 20:13:27 GMT 2023 , Edited by admin on Fri Dec 15 20:13:27 GMT 2023

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PUBCHEM

10453

Created by admin on Fri Dec 15 20:13:27 GMT 2023 , Edited by admin on Fri Dec 15 20:13:27 GMT 2023

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EVMPD

SUB41332

Created by admin on Fri Dec 15 20:13:27 GMT 2023 , Edited by admin on Fri Dec 15 20:13:27 GMT 2023

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FDA UNII

A831ZI6VIM

Created by admin on Fri Dec 15 20:13:27 GMT 2023 , Edited by admin on Fri Dec 15 20:13:27 GMT 2023

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SMS_ID

100000130096

Created by admin on Fri Dec 15 20:13:27 GMT 2023 , Edited by admin on Fri Dec 15 20:13:27 GMT 2023

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WIKIPEDIA

Isophytol

Created by admin on Fri Dec 15 20:13:27 GMT 2023 , Edited by admin on Fri Dec 15 20:13:27 GMT 2023

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EPA CompTox

DTXSID2025474

Created by admin on Fri Dec 15 20:13:27 GMT 2023 , Edited by admin on Fri Dec 15 20:13:27 GMT 2023

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MESH

C549875

Created by admin on Fri Dec 15 20:13:27 GMT 2023 , Edited by admin on Fri Dec 15 20:13:27 GMT 2023

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ECHA (EC/EINECS)

208-008-8

Created by admin on Fri Dec 15 20:13:27 GMT 2023 , Edited by admin on Fri Dec 15 20:13:27 GMT 2023

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HSDB

5673

Created by admin on Fri Dec 15 20:13:27 GMT 2023 , Edited by admin on Fri Dec 15 20:13:27 GMT 2023

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MERCK INDEX

m6514

Created by admin on Fri Dec 15 20:13:27 GMT 2023 , Edited by admin on Fri Dec 15 20:13:27 GMT 2023

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Merck Index