[3,4,5-triacetyloxy-6-(2-oxidanylidene-4-phenylmethoxy-3-undecoxy-chromen-7-yl)oxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-(2-oxidanylidene-4-phenylmethoxy-3-undecoxy-chromen-7-yl)oxy-oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-(4-benzyloxy-2-oxo-3-undecoxy-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[(2-oxo-4-phenylmethoxy-3-undecoxy-1-benzopyran-7-yl)oxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-(2-oxo-4-phenylmethoxy-3-undecoxychromen-7-yl)oxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-(4-benzoxy-2-keto-3-undecoxy-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl ester Formula: C41H52O14 MolecularWeight: 768.84318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=C(C2=C(C=C(C=C2)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC1=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCOC1=C(C2=C(C=C(C=C2)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC1=O)OCC4=CC=CC=C4

InChI

InChI=1S/C41H52O14/c1-6-7-8-9-10-11-12-13-17-22-47-38-35(49-24-30-18-15-14-16-19-30)32-21-20-31(23-33(32)54-40(38)46)53-41-39(52-29(5)45)37(51-28(4)44)36(50-27(3)43)34(55-41)25-48-26(2)42/h14-16,18-21,23,34,36-37,39,41H,6-13,17,22,24-25H2,1-5H3