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Reference substances

Reference substances

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General information

Inventory

EC number:
283-393-3
EC name:
2-hydroxy-3-(oleoyloxy)propyl 5-oxo-L-prolinate
CAS number:
84608-82-2

No inventory information available

Reference substance information

IUPAC name:
2-hydroxy-3-[(Z)-(2S)-5-oxopyrrolidine-2-carbonyloxy]propyl (9Z)-octadec-9-enoate
Synonyms
Names:
Identifier:
CAS number
84608-82-2
Identifier:
IUPAC name
2-hydroxy-3-(oleoyloxy)propyl 5-oxo-L-prolinate
Identifier:
other: SMILES notation
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)[C@@H]1CCC(=O)N1
Identifier:
other: InChl
InChI=1/C26H45NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)32-20-22(28)21-33-26(31)23-18-19-24(29)27-23/h9-10,22-23,28H,2-8,11-21H2,1H3,(H,27,29)
2-hydroxy-3-{[(9Z)-octadec-9-enoyl]oxy}propyl 5-oxo-L-prolinate

CAS information

CAS number:
84608-82-2

Molecular and structural information

Molecular formula:
C26H45NO6
Molecular weight:
ca.
SMILES notation:
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)C1CCC(=O)N1;
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(OC(=O)C1CCC(=O)N1)CO;
O=C1CCC(N1)C(=O)OCC(OC(=O)C2CCC(=O)N2)COC(=O)CCCCCCC/C=C\CCCCCCCC;
O=C1CCC(N1)C(=O)OCC(COC(=O)C2CCC(=O)N2)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChl:
InChI=1S/C26H45NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)32-20-22(28)21-33-26(31)23-18-19-24(29)27-23/h9-10,22-23,28H,2-8,11-21H2,1H3,(H,27,29)/b10-9-/t22?,23-/m0/s1;
InChI=1S/C26H45NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)32-21-22(20-28)33-26(31)23-18-19-24(29)27-23/h9-10,22-23,28H,2-8,11-21H2,1H3,(H,27,29)/b10-9-;
InChI=1S/C31H50N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(36)39-22-24(41-31(38)26-19-21-28(35)33-26)23-40-30(37)25-18-20-27(34)32-25/h9-10,24-26H,2-8,11-23H2,1H3,(H,32,34)(H,33,35)/b10-9-;
InChI=1S/C31H50N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(36)41-24(22-39-30(37)25-18-20-27(34)32-25)23-40-31(38)26-19-21-28(35)33-26/h9-10,24-26H,2-8,11-23H2,1H3,(H,32,34)(H,33,35)/b10-9-
Structural formula:
Chemical structure