ethyl (E)-4-[(2R,4aR,6S,7R,9aS)-7-oxidanyl-2-phenyl-4a,6,7,8,9,9a-hexahydro-4H-[1,3]dioxino[5,4-b]oxepin-6-yl]-2-methyl-but-2-enoate

Systemtic Name: ethyl (E)-4-[(2R,4aR,6S,7R,9aS)-7-oxidanyl-2-phenyl-4a,6,7,8,9,9a-hexahydro-4H-[1,3]dioxino[5,4-b]oxepin-6-yl]-2-methyl-but-2-enoate Openeye Name: ethyl (E)-4-[(2R,4aR,6S,7R,9aS)-7-hydroxy-2-phenyl-4a,6,7,8,9,9a-hexahydro-4H-[1,3]dioxino[5,4-b]oxepin-6-yl]-2-methyl-but-2-enoate CAS Name: (E)-4-[(2R,4aR,6S,7R,9aS)-7-hydroxy-2-phenyl-4a,6,7,8,9,9a-hexahydro-4H-[1,3]dioxino[5,4-b]oxepin-6-yl]-2-methyl-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(2R,4aR,6S,7R,9aS)-7-hydroxy-2-phenyl-4a,6,7,8,9,9a-hexahydro-4H-[1,3]dioxino[5,4-b]oxepin-6-yl]-2-methylbut-2-enoate Traditional Name: (E)-4-[(2R,4aR,6S,7R,9aS)-7-hydroxy-2-phenyl-4a,6,7,8,9,9a-hexahydro-4H-[1,3]dioxino[5,4-b]oxepin-6-yl]-2-methyl-but-2-enoic acid ethyl ester Formula: C21H28O6 MolecularWeight: 376.44342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CCC1C(CCC2C(O1)COC(O2)C3=CC=CC=C3)O)C

Isomeric SMILES

CCOC(=O)/C(=C/C[C@H]1[C@@H](CC[C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)O)/C

InChI

InChI=1S/C21H28O6/c1-3-24-20(23)14(2)9-11-17-16(22)10-12-18-19(26-17)13-25-21(27-18)15-7-5-4-6-8-15/h4-9,16-19,21-22H,3,10-13H2,1-2H3/b14-9+/t16-,17+,18+,19-,21-/m1/s1