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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H34O3
Molecular Weight 310.4715
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of METHYL .BETA.-DIMORPHECOLATE, (9R)-

SMILES

CCCCC\C=C\C=C\[C@H](O)CCCCCCCC(=O)OC

InChI

InChIKey=WRXGTVUDZZBNPN-UGZMQUNVSA-N
InChI=1S/C19H34O3/c1-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19(21)22-2/h7,9,12,15,18,20H,3-6,8,10-11,13-14,16-17H2,1-2H3/b9-7+,15-12+/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H34O3
Molecular Weight 310.4715
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:50:15 GMT 2023
Edited
by admin
on Sat Dec 16 12:50:15 GMT 2023
Record UNII
UU4K4SQ93A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL .BETA.-DIMORPHECOLATE, (9R)-
Common Name English
10,12-OCTADECADIENOIC ACID, 9-HYDROXY-, METHYL ESTER, (E,E)-D-(+)-
Systematic Name English
METHYL (9R,10E,12E)-9-HYDROXY-10,12-OCTADECADIENOATE
Systematic Name English
10,12-OCTADECADIENOIC ACID, 9-HYDROXY-, METHYL ESTER, (9R,10E,12E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
90474977
Created by admin on Sat Dec 16 12:50:15 GMT 2023 , Edited by admin on Sat Dec 16 12:50:15 GMT 2023
PRIMARY
FDA UNII
UU4K4SQ93A
Created by admin on Sat Dec 16 12:50:15 GMT 2023 , Edited by admin on Sat Dec 16 12:50:15 GMT 2023
PRIMARY
CAS
6114-34-7
Created by admin on Sat Dec 16 12:50:15 GMT 2023 , Edited by admin on Sat Dec 16 12:50:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID101217079
Created by admin on Sat Dec 16 12:50:15 GMT 2023 , Edited by admin on Sat Dec 16 12:50:15 GMT 2023
PRIMARY
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