[(1R,2R,3S,4R,5R)-2,3,4-triacetyloxy-5-[(2S)-2-acetyloxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] 12-methyltetradecanoate

Systemtic Name: [(1R,2R,3S,4R,5R)-2,3,4-triacetyloxy-5-[(2S)-2-acetyloxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] 12-methyltetradecanoate Openeye Name: [(1R,2R,3S,4R,5R)-2,3,4-triacetoxy-5-[(2S)-2-acetoxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] 12-methyltetradecanoate CAS Name: 12-methyltetradecanoic acid [(1R,2R,3S,4R,5R)-2,3,4-triacetyloxy-5-[(2S)-2-acetyloxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] ester IUPAC Name: [(1R,2R,3S,4R,5R)-2,3,4-triacetyloxy-5-[(2S)-2-acetyloxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] 12-methyltetradecanoate Traditional Name: 12-methylmyristic acid [(1R,2R,3S,4R,5R)-2,3,4-triacetoxy-5-[(2S)-2-acetoxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] ester Formula: C48H86O12 MolecularWeight: 855.18924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)CCCCCCCCCOCC(COC1C(C(C(C1OC(=O)CCCCCCCCCCC(C)CC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCC(C)CCCCCCCCCOC[C@@H](CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H]1OC(=O)CCCCCCCCCCC(C)CC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C48H86O12/c1-9-11-12-24-30-37(4)31-26-21-17-15-19-23-28-33-54-34-42(56-38(5)49)35-55-44-45(57-39(6)50)47(58-40(7)51)48(59-41(8)52)46(44)60-43(53)32-27-22-18-14-13-16-20-25-29-36(3)10-2/h36-37,42,44-48H,9-35H2,1-8H3/t36?,37?,42-,44+,45+,46+,47-,48-/m0/s1