(1R,5S,6S,7R,10S,14S,16S)-14-[(E)-1-[2-[(E)-2-iodanylethenyl]-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-[(E)-2-iodanylethenyl]-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)-6,10-dihydroxy-14-[(E)-2-[2-[(E)-2-iodovinyl]thiazol-4-yl]-1-methyl-vinyl]-5,7,9,9-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione CAS Name: (1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-14-[(E)-1-[2-[(E)-2-iodoethenyl]-4-thiazolyl]prop-1-en-2-yl]-5,7,9,9-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione IUPAC Name: (1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-14-[(E)-1-[2-[(E)-2-iodoethenyl]-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,7,9,9-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione Traditional Name: (1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-14-[(E)-2-[2-[(E)-2-iodovinyl]thiazol-4-yl]-1-methyl-vinyl]-5,7,9,9-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-quinone Formula: C27H38INO6S MolecularWeight: 631.56319

Click to see the large picture

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=CI)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/I)/C

InChI

InChI=1S/C27H38INO6S/c1-15-7-6-8-19-21(34-19)12-20(16(2)11-18-14-36-23(29-18)9-10-28)35-24(31)13-22(30)27(4,5)26(33)17(3)25(15)32/h9-11,14-15,17,19-22,25,30,32H,6-8,12-13H2,1-5H3/b10-9+,16-11+/t15-,17+,19+,20-,21-,22-,25-/m0/s1