(1S,3S,7S,10R,11S,12S,16R)-16-(iodanylmethyl)-8,8,10,12-tetramethyl-3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-7,11-bis(oxidanyl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

Systemtic Name: (1S,3S,7S,10R,11S,12S,16R)-16-(iodanylmethyl)-8,8,10,12-tetramethyl-3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-7,11-bis(oxidanyl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione Openeye Name: (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-16-(iodomethyl)-8,8,10,12-tetramethyl-3-[(E)-2-(2-methylthiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione CAS Name: (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-16-(iodomethyl)-8,8,10,12-tetramethyl-3-[(E)-2-(2-methyl-4-thiazolyl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione IUPAC Name: (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-16-(iodomethyl)-8,8,10,12-tetramethyl-3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione Traditional Name: (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-16-(iodomethyl)-8,8,10,12-tetramethyl-3-[(E)-2-(2-methylthiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-quinone Formula: C26H38INO6S MolecularWeight: 619.55249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C=CC3=CSC(=N3)C)CI

Isomeric SMILES

C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C=C/C3=CSC(=N3)C)CI

InChI

InChI=1S/C26H38INO6S/c1-15-7-6-10-26(14-27)21(34-26)11-19(9-8-18-13-35-17(3)28-18)33-22(30)12-20(29)25(4,5)24(32)16(2)23(15)31/h8-9,13,15-16,19-21,23,29,31H,6-7,10-12,14H2,1-5H3/b9-8+/t15-,16+,19+,20-,21-,23-,26-/m0/s1