(3R,7S,10S,11R,12S,16S)-8,8,10,12,16-pentamethyl-3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-7,11-bis(oxidanyl)-4-oxabicyclo[14.1.0]heptadecane-5,9-dione

Systemtic Name: (3R,7S,10S,11R,12S,16S)-8,8,10,12,16-pentamethyl-3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-7,11-bis(oxidanyl)-4-oxabicyclo[14.1.0]heptadecane-5,9-dione Openeye Name: (3R,7S,10S,11R,12S,16S)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-2-(2-methylthiazol-4-yl)vinyl]-4-oxabicyclo[14.1.0]heptadecane-5,9-dione CAS Name: (3R,7S,10S,11R,12S,16S)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-2-(2-methyl-4-thiazolyl)ethenyl]-4-oxabicyclo[14.1.0]heptadecane-5,9-dione IUPAC Name: (3R,7S,10S,11R,12S,16S)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4-oxabicyclo[14.1.0]heptadecane-5,9-dione Traditional Name: (3R,7S,10S,11R,12S,16S)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-2-(2-methylthiazol-4-yl)vinyl]-4-oxabicyclo[14.1.0]heptadecane-5,9-quinone Formula: C27H41NO5S MolecularWeight: 491.68314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2(CC2CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C=CC3=CSC(=N3)C)C

Isomeric SMILES

C[C@H]1CCC[C@]2(CC2C[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

InChI

InChI=1S/C27H41NO5S/c1-16-8-7-11-27(6)14-19(27)12-21(10-9-20-15-34-18(3)28-20)33-23(30)13-22(29)26(4,5)25(32)17(2)24(16)31/h9-10,15-17,19,21-22,24,29,31H,7-8,11-14H2,1-6H3/b10-9+/t16-,17-,19?,21-,22-,24+,27-/m0/s1