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

Systemtic Name: (1R,5S,6S,7R,10S,14S,16S)-5,7,9,9,10-pentamethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-6-oxidanyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione Openeye Name: (1R,5S,6S,7R,10S,14S,16S)-6-hydroxy-5,7,9,9,10-pentamethyl-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,10S,14S,16S)-6-hydroxy-5,7,9,9,10-pentamethyl-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,10S,14S,16S)-6-hydroxy-5,7,9,9,10-pentamethyl-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,10S,14S,16S)-6-hydroxy-5,7,9,9,10-pentamethyl-14-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-quinone Formula: C27H41NO5S MolecularWeight: 491.68314

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H41NO5S/c1-15-9-8-10-21-23(32-21)13-22(16(2)11-20-14-34-19(5)28-20)33-24(29)12-17(3)27(6,7)26(31)18(4)25(15)30/h11,14-15,17-18,21-23,25,30H,8-10,12-13H2,1-7H3/b16-11+/t15-,17-,18+,21+,22-,23-,25-/m0/s1