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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H42O2
Molecular Weight 338.5677
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PHYTYL ACETATE, (E)-

SMILES

CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COC(C)=O

InChI

InChIKey=JIGCTXHIECXYRJ-ILWBRPEASA-N
InChI=1S/C22H42O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h16,18-20H,7-15,17H2,1-6H3/b21-16+/t19-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H42O2
Molecular Weight 338.5677
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Antimycobacterial plant terpenoids.
2001-11
Antimycobacterial activity of (E)-phytol and derivatives: a preliminary structure-activity study.
1998-02
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:04:31 GMT 2025
Edited
by admin
on Mon Mar 31 19:04:31 GMT 2025
Record UNII
5YJX2M386O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHYTYL ACETATE, (E)-
Systematic Name English
FEMA NO. 4197, E-
Preferred Name English
2-HEXADECEN-1-OL, 3,7,11,15-TETRAMETHYL-, 1-ACETATE, (2E,7R,11R)-
Common Name English
2-HEXADECEN-1-OL, 3,7,11,15-TETRAMETHYL-, ACETATE, (2E,7R,11R)-
Systematic Name English
TRANS-PHYTYL ACETATE
Common Name English
(7R,11R)-TRANS-PHYTOL ACETATE
Common Name English
(E,R,R)-PHYTYL ACETATE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
233-565-9
Created by admin on Mon Mar 31 19:04:31 GMT 2025 , Edited by admin on Mon Mar 31 19:04:31 GMT 2025
PRIMARY
CAS
10236-16-5
Created by admin on Mon Mar 31 19:04:31 GMT 2025 , Edited by admin on Mon Mar 31 19:04:31 GMT 2025
PRIMARY
PUBCHEM
637195
Created by admin on Mon Mar 31 19:04:31 GMT 2025 , Edited by admin on Mon Mar 31 19:04:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID00893616
Created by admin on Mon Mar 31 19:04:31 GMT 2025 , Edited by admin on Mon Mar 31 19:04:31 GMT 2025
PRIMARY
FDA UNII
5YJX2M386O
Created by admin on Mon Mar 31 19:04:31 GMT 2025 , Edited by admin on Mon Mar 31 19:04:31 GMT 2025
PRIMARY