S-(2-acetamidoethyl) (E,2R,3S,4S,6R,10R,11R)-2,4,6,10-tetramethyl-3,7,11-tris(oxidanyl)tridec-8-enethioate

Systemtic Name: S-(2-acetamidoethyl) (E,2R,3S,4S,6R,10R,11R)-2,4,6,10-tetramethyl-3,7,11-tris(oxidanyl)tridec-8-enethioate Openeye Name: S-(2-acetamidoethyl) (E,2R,3S,4S,6R,10R,11R)-3,7,11-trihydroxy-2,4,6,10-tetramethyl-tridec-8-enethioate CAS Name: (E,2R,3S,4S,6R,10R,11R)-3,7,11-trihydroxy-2,4,6,10-tetramethyl-8-tridecenethioic acid S-(2-acetamidoethyl) ester IUPAC Name: S-(2-acetamidoethyl) (E,2R,3S,4S,6R,10R,11R)-3,7,11-trihydroxy-2,4,6,10-tetramethyltridec-8-enethioate Traditional Name: (E,2R,3S,4S,6R,10R,11R)-3,7,11-trihydroxy-2,4,6,10-tetramethyl-tridec-8-enethioic acid S-(2-acetamidoethyl) ester Formula: C21H39NO5S MolecularWeight: 417.60306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C=CC(C(C)CC(C)C(C(C)C(=O)SCCNC(=O)C)O)O)O

Isomeric SMILES

CC[C@H]([C@H](C)/C=C/C([C@H](C)C[C@H](C)[C@@H]([C@@H](C)C(=O)SCCNC(=O)C)O)O)O

InChI

InChI=1S/C21H39NO5S/c1-7-18(24)13(2)8-9-19(25)14(3)12-15(4)20(26)16(5)21(27)28-11-10-22-17(6)23/h8-9,13-16,18-20,24-26H,7,10-12H2,1-6H3,(H,22,23)/b9-8+/t13-,14-,15+,16-,18-,19?,20+/m1/s1