(E)-17-hexadecanoyl-18-(hydroxymethyl)-17,18-bis(oxidanyl)hexatriacont-27-ene-16,19-dione

Systemtic Name: (E)-17-hexadecanoyl-18-(hydroxymethyl)-17,18-bis(oxidanyl)hexatriacont-27-ene-16,19-dione Openeye Name: (E)-17-hexadecanoyl-17,18-dihydroxy-18-(hydroxymethyl)hexatriacont-27-ene-16,19-dione CAS Name: (E)-17,18-dihydroxy-18-(hydroxymethyl)-17-(1-oxohexadecyl)-27-hexatriacontene-16,19-dione IUPAC Name: (E)-17-hexadecanoyl-17,18-dihydroxy-18-(hydroxymethyl)hexatriacont-27-ene-16,19-dione Traditional Name: (E)-17-hexadecanoyl-17,18-dihydroxy-18-methylol-hexatriacont-27-ene-16,19-dione Formula: C53H100O6 MolecularWeight: 833.3575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-30-33-36-39-42-45-49(55)52(58,48-54)53(59,50(56)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2)51(57)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3/h25-26,54,58-59H,4-24,27-48H2,1-3H3/b26-25+