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30606-27-0 | 9,12-Octadecadienoic acid (9Z,12Z)-, diester with 1,2,3-propanetriol
CAS No: 30606-27-0 Catalog No: AG0030NB MDL No:
Product Description
Catalog Number:
AG0030NB
Chemical Name:
9,12-Octadecadienoic acid (9Z,12Z)-, diester with 1,2,3-propanetriol
CAS Number:
30606-27-0
IUPAC Name:
[3-hydroxy-2-[(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)43-36-37(35-40)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:
MQGBAQLIFKSMEM-MAZCIEHSSA-N
EC Number:
250-259-0
Properties
Complexity:
752
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4
Exact Mass:
616.507g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
616.968g/mol
Monoisotopic Mass:
616.507g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
13
Literature
| Title | Journal |
|---|---|
| HPLC in reversed phase mode: Tool for investigation of kinetics of blackcurrant seed oil lipolysis in supercritical carbon dioxide. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20060724 |
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