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

Systemtic Name: (1S,2R,3S,7R,10R,11S,12S,16R)-2,10,12,16-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione Openeye Name: (1S,2R,3S,7R,10R,11S,12S,16R)-7,11-dihydroxy-2,10,12,16-tetramethyl-3-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione CAS Name: (1S,2R,3S,7R,10R,11S,12S,16R)-7,11-dihydroxy-2,10,12,16-tetramethyl-3-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione IUPAC Name: (1S,2R,3S,7R,10R,11S,12S,16R)-7,11-dihydroxy-2,10,12,16-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione Traditional Name: (1S,2R,3S,7R,10R,11S,12S,16R)-7,11-dihydroxy-2,10,12,16-tetramethyl-3-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-quinone Formula: C26H39NO6S MolecularWeight: 493.65596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39NO6S/c1-14-8-7-9-26(6)25(33-26)17(4)24(15(2)10-19-13-34-18(5)27-19)32-22(30)12-20(28)11-21(29)16(3)23(14)31/h10,13-14,16-17,20,23-25,28,31H,7-9,11-12H2,1-6H3/b15-10+/t14-,16-,17+,20+,23-,24+,25-,26+/m0/s1