(9E,30E)-20-hexadecanoyl-19,20,21-tris(oxidanyl)nonatriaconta-9,30-diene-18,22-dione

Systemtic Name: (9E,30E)-20-hexadecanoyl-19,20,21-tris(oxidanyl)nonatriaconta-9,30-diene-18,22-dione Openeye Name: (9E,30E)-20-hexadecanoyl-19,20,21-trihydroxy-nonatriaconta-9,30-diene-18,22-dione CAS Name: (9E,30E)-19,20,21-trihydroxy-20-(1-oxohexadecyl)nonatriaconta-9,30-diene-18,22-dione IUPAC Name: (9E,30E)-20-hexadecanoyl-19,20,21-trihydroxynonatriaconta-9,30-diene-18,22-dione Traditional Name: (9E,30E)-20-hexadecanoyl-19,20,21-trihydroxy-nonatriaconta-9,30-diene-18,22-dione Formula: C55H102O6 MolecularWeight: 859.39478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C(C(=O)CCCCCCCC=CCCCCCCCC)O)(C(C(=O)CCCCCCCC=CCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(O)(C(O)C(=O)CCCCCCC/C=C/CCCCCCCC)C(O)C(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-50(56)53(59)55(61,52(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)54(60)51(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,53-54,59-61H,4-24,29-49H2,1-3H3/b27-25+,28-26+