[(3R,3aS,5R,6R,7R,7aR)-5-(hydroxymethyl)-7-iodanyl-3-[(4-methoxyphenyl)methoxy]-7a-methyl-2-oxidanylidene-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-6-yl] 2-[(4-methoxyphenyl)methoxy]ethanoate

Systemtic Name: [(3R,3aS,5R,6R,7R,7aR)-5-(hydroxymethyl)-7-iodanyl-3-[(4-methoxyphenyl)methoxy]-7a-methyl-2-oxidanylidene-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-6-yl] 2-[(4-methoxyphenyl)methoxy]ethanoate Openeye Name: [(3R,3aS,5R,6R,7R,7aR)-5-(hydroxymethyl)-7-iodo-3-[(4-methoxyphenyl)methoxy]-7a-methyl-2-oxo-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-6-yl] 2-[(4-methoxyphenyl)methoxy]acetate CAS Name: 2-[(4-methoxyphenyl)methoxy]acetic acid [(3R,3aS,5R,6R,7R,7aR)-5-(hydroxymethyl)-7-iodo-3-[(4-methoxyphenyl)methoxy]-7a-methyl-2-oxo-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-6-yl] ester IUPAC Name: [(3R,3aS,5R,6R,7R,7aR)-5-(hydroxymethyl)-7-iodo-3-[(4-methoxyphenyl)methoxy]-7a-methyl-2-oxo-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-6-yl] 2-[(4-methoxyphenyl)methoxy]acetate Traditional Name: 2-p-anisyloxyacetic acid [(3R,3aS,5R,6R,7R,7aR)-7-iodo-2-keto-7a-methyl-5-methylol-3-p-anisyloxy-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-6-yl] ester Formula: C27H31IO10 MolecularWeight: 642.43351

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(C(C(=O)O1)OCC3=CC=C(C=C3)OC)OC(C(C2I)OC(=O)COCC4=CC=C(C=C4)OC)CO

Isomeric SMILES

C[C@]12[C@H]([C@H](C(=O)O1)OCC3=CC=C(C=C3)OC)O[C@@H]([C@H]([C@H]2I)OC(=O)COCC4=CC=C(C=C4)OC)CO

InChI

InChI=1S/C27H31IO10/c1-27-24(28)22(37-21(30)15-34-13-16-4-8-18(32-2)9-5-16)20(12-29)36-25(27)23(26(31)38-27)35-14-17-6-10-19(33-3)11-7-17/h4-11,20,22-25,29H,12-15H2,1-3H3/t20-,22-,23-,24-,25+,27+/m1/s1