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

Systemtic Name: (1R,5S,6S,7R,9S,10S,14S,16S)-9-(hydroxymethyl)-5,7,9-trimethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-6,10-bis(oxidanyl)-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione Openeye Name: (1R,5S,6S,7R,9S,10S,14S,16S)-6,10-dihydroxy-9-(hydroxymethyl)-5,7,9-trimethyl-14-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione CAS Name: (1R,5S,6S,7R,9S,10S,14S,16S)-6,10-dihydroxy-9-(hydroxymethyl)-5,7,9-trimethyl-14-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione IUPAC Name: (1R,5S,6S,7R,9S,10S,14S,16S)-6,10-dihydroxy-9-(hydroxymethyl)-5,7,9-trimethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione Traditional Name: (1R,5S,6S,7R,9S,10S,14S,16S)-6,10-dihydroxy-5,7,9-trimethyl-14-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-9-methylol-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-quinone Formula: C26H39NO7S MolecularWeight: 509.65536

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)CO)O)C(=CC3=CSC(=N3)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)CO)O)/C(=C/C3=CSC(=N3)C)/C

InChI

InChI=1S/C26H39NO7S/c1-14-7-6-8-19-21(33-19)10-20(15(2)9-18-12-35-17(4)27-18)34-23(30)11-22(29)26(5,13-28)25(32)16(3)24(14)31/h9,12,14,16,19-22,24,28-29,31H,6-8,10-11,13H2,1-5H3/b15-9+/t14-,16+,19+,20-,21-,22-,24-,26-/m0/s1