[4-[(2S,4R)-7-acetyloxy-4-(2,4,6-triacetyloxy-3-dodecanoyl-phenyl)-3,4-dihydro-2H-chromen-2-yl]phenyl] ethanoate

Systemtic Name: [4-[(2S,4R)-7-acetyloxy-4-(2,4,6-triacetyloxy-3-dodecanoyl-phenyl)-3,4-dihydro-2H-chromen-2-yl]phenyl] ethanoate Openeye Name: [4-[(2S,4R)-7-acetoxy-4-(2,4,6-triacetoxy-3-dodecanoyl-phenyl)chroman-2-yl]phenyl] acetate CAS Name: acetic acid [4-[(2S,4R)-7-acetyloxy-4-[2,4,6-triacetyloxy-3-(1-oxododecyl)phenyl]-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl] ester IUPAC Name: [4-[(2S,4R)-7-acetyloxy-4-(2,4,6-triacetyloxy-3-dodecanoylphenyl)-3,4-dihydro-2H-chromen-2-yl]phenyl] acetate Traditional Name: acetic acid [4-[(2S,4R)-7-acetoxy-4-(2,4,6-triacetoxy-3-lauroyl-phenyl)chroman-2-yl]phenyl] ester Formula: C43H50O12 MolecularWeight: 758.8499

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(C(=C(C=C1OC(=O)C)OC(=O)C)C2CC(OC3=C2C=CC(=C3)OC(=O)C)C4=CC=C(C=C4)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(C(=C(C=C1OC(=O)C)OC(=O)C)[C@@H]2C[C@H](OC3=C2C=CC(=C3)OC(=O)C)C4=CC=C(C=C4)OC(=O)C)OC(=O)C

InChI

InChI=1S/C43H50O12/c1-7-8-9-10-11-12-13-14-15-16-36(49)42-40(53-29(5)47)25-39(52-28(4)46)41(43(42)54-30(6)48)35-24-37(31-17-19-32(20-18-31)50-26(2)44)55-38-23-33(51-27(3)45)21-22-34(35)38/h17-23,25,35,37H,7-16,24H2,1-6H3/t35-,37+/m1/s1