Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 652.98478 [g/mol] Molecular Formula C39H72O7 XLogP 9.9 H-Bond Donor 3 H-Bond Acceptor 7 Rotatable Bond Count 36 Exact Mass 652.527805 MonoIsotopic Mass 652.527805 Topological Polar Surface Area 113 Heavy Atom Count 46 Formal Charge 0 Complexity 676 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 2 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: [2-hydroxy-3-(12-hydroxyoctadec-9-enoyloxy)propyl]
12-hydroxyoctadec-9-enoate
Canonical SMILES: CCCCCCC(CC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC(CCCCCC)O)O)O
InChI: InChI=1/C39H72O7/c1-3-5-7-21-27-35(40)29-23-17-13-9-11-15-19-25-31-38
(43)45-33-37(42)34-46-39(44)32-26-20-16-12-10-14-18-24-30-36(41)28-22-8-
6-4-2/h17-18,23-24,35-37,40-42H,3-16,19-22,25-34H2,1-2H3
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