[4-[(E)-2-[(1R,5S,6S,7R,10S,14S,16S)-5,7,9,9-tetramethyl-6,10-bis(oxidanyl)-8,12-bis(oxidanylidene)-13,17-dioxabicyclo[14.1.0]heptadecan-14-yl]prop-1-enyl]-1,3-thiazol-2-yl]methyl 2-(2-methoxyethoxy)ethanoate

Systemtic Name: [4-[(E)-2-[(1R,5S,6S,7R,10S,14S,16S)-5,7,9,9-tetramethyl-6,10-bis(oxidanyl)-8,12-bis(oxidanylidene)-13,17-dioxabicyclo[14.1.0]heptadecan-14-yl]prop-1-enyl]-1,3-thiazol-2-yl]methyl 2-(2-methoxyethoxy)ethanoate Openeye Name: [4-[(E)-2-[(1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-5,7,9,9-tetramethyl-8,12-dioxo-13,17-dioxabicyclo[14.1.0]heptadecan-14-yl]prop-1-enyl]thiazol-2-yl]methyl 2-(2-methoxyethoxy)acetate CAS Name: 2-(2-methoxyethoxy)acetic acid [4-[(E)-2-[(1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-5,7,9,9-tetramethyl-8,12-dioxo-13,17-dioxabicyclo[14.1.0]heptadecan-14-yl]prop-1-enyl]-2-thiazolyl]methyl ester IUPAC Name: [4-[(E)-2-[(1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-5,7,9,9-tetramethyl-8,12-dioxo-13,17-dioxabicyclo[14.1.0]heptadecan-14-yl]prop-1-enyl]-1,3-thiazol-2-yl]methyl 2-(2-methoxyethoxy)acetate Traditional Name: 2-(2-methoxyethoxy)acetic acid [4-[(E)-2-[(1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-8,12-diketo-5,7,9,9-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadecan-14-yl]prop-1-enyl]thiazol-2-yl]methyl ester Formula: C31H47NO10S MolecularWeight: 625.77058

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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)COC(=O)COCCOC)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)COC(=O)COCCOC)/C

InChI

InChI=1S/C31H47NO10S/c1-18-8-7-9-22-24(41-22)13-23(42-27(34)14-25(33)31(4,5)30(37)20(3)29(18)36)19(2)12-21-17-43-26(32-21)15-40-28(35)16-39-11-10-38-6/h12,17-18,20,22-25,29,33,36H,7-11,13-16H2,1-6H3/b19-12+/t18-,20+,22+,23-,24-,25-,29-/m0/s1