(3S,7S,10R,11S,12S,16R)-16-(hydroxymethyl)-8,8,10,12-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: (3S,7S,10R,11S,12S,16R)-16-(hydroxymethyl)-8,8,10,12-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: (3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-16-(hydroxymethyl)-8,8,10,12-tetramethyl-3-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione CAS Name: (3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-16-(hydroxymethyl)-8,8,10,12-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: (3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-16-(hydroxymethyl)-8,8,10,12-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: (3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-16-methylol-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-quinone Formula: C27H41NO7S MolecularWeight: 523.68194

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)C)CO

Isomeric SMILES

C[C@H]1CCC[C@]2(C(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)/C)CO

InChI

InChI=1S/C27H41NO7S/c1-15-8-7-9-27(14-29)22(35-27)11-20(16(2)10-19-13-36-18(4)28-19)34-23(31)12-21(30)26(5,6)25(33)17(3)24(15)32/h10,13,15,17,20-22,24,29-30,32H,7-9,11-12,14H2,1-6H3/b16-10+/t15-,17+,20-,21-,22?,24-,27+/m0/s1