CAS 15818-46-9 | 9,12-Octadecadienoic acid (9Z,12Z)-, 1,1'-(2-hydroxy-1,3-propanediyl) ester | CAS Number 15818-46-9

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15818-46-9 | 9,12-Octadecadienoic acid (9Z,12Z)-, 1,1'-(2-hydroxy-1,3-propanediyl) ester

CAS No: 15818-46-9 Catalog No: AG001Q1N MDL No:

Product Description

Catalog Number:

AG001Q1N

Chemical Name:

9,12-Octadecadienoic acid (9Z,12Z)-, 1,1'-(2-hydroxy-1,3-propanediyl) ester

CAS Number:

15818-46-9

Molecular Formula:

C39H68O5

Molecular Weight:

616.9542

IUPAC Name:

[2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate

InChI:

InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37,40H,3-10,15-16,21-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18-

InChI Key:

LYPGMYIQHDZFFD-MAZCIEHSSA-N

SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)O

UNII:

B07YB21KXB

Properties

Complexity:

690

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

616.507g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

616.968g/mol

Monoisotopic Mass:

616.507g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Identification of differentially expressed genes in Flammulina velutipes with anti-tyrosinase activity.	Current microbiology 20110201
Solvent-free enzymatic synthesis of 1,3-diconjugated linoleoyl glycerol optimized by response surface methodology.	Biotechnology progress 20040101