(1R,5S,6S,7R,10S,14S,16S)-14-[(E)-1-(2-ethynyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,7,9,9-tetramethyl-6,10-bis(oxidanyl)-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione

Systemtic Name: (1R,5S,6S,7R,10S,14S,16S)-14-[(E)-1-(2-ethynyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,7,9,9-tetramethyl-6,10-bis(oxidanyl)-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione Openeye Name: (1R,5S,6S,7R,10S,14S,16S)-14-[(E)-2-(2-ethynylthiazol-4-yl)-1-methyl-vinyl]-6,10-dihydroxy-5,7,9,9-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione CAS Name: (1R,5S,6S,7R,10S,14S,16S)-14-[(E)-1-(2-ethynyl-4-thiazolyl)prop-1-en-2-yl]-6,10-dihydroxy-5,7,9,9-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione IUPAC Name: (1R,5S,6S,7R,10S,14S,16S)-14-[(E)-1-(2-ethynyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-6,10-dihydroxy-5,7,9,9-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione Traditional Name: (1R,5S,6S,7R,10S,14S,16S)-14-[(E)-2-(2-ethynylthiazol-4-yl)-1-methyl-vinyl]-6,10-dihydroxy-5,7,9,9-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-quinone Formula: C27H37NO6S MolecularWeight: 503.65078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C#C)C

Isomeric SMILES

C[C@H]1CCC[C@@H]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#C)/C

InChI

InChI=1S/C27H37NO6S/c1-7-23-28-18(14-35-23)11-16(3)20-12-21-19(33-21)10-8-9-15(2)25(31)17(4)26(32)27(5,6)22(29)13-24(30)34-20/h1,11,14-15,17,19-22,25,29,31H,8-10,12-13H2,2-6H3/b16-11+/t15-,17+,19+,20-,21-,22-,25-/m0/s1