tritert-butyl (1S,3S,4S,5R,6R,7R)-4-oxidanyl-1-(3-oxidanylidenepropyl)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate

Systemtic Name: tritert-butyl (1S,3S,4S,5R,6R,7R)-4-oxidanyl-1-(3-oxidanylidenepropyl)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate Openeye Name: tritert-butyl (1S,3S,4S,5R,6R,7R)-6,7-dibenzyloxy-4-hydroxy-1-(3-oxopropyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate CAS Name: (1S,3S,4S,5R,6R,7R)-4-hydroxy-1-(3-oxopropyl)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl (1S,3S,4S,5R,6R,7R)-4-hydroxy-1-(3-oxopropyl)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate Traditional Name: (1S,3S,4S,5R,6R,7R)-6,7-dibenzoxy-4-hydroxy-1-(3-ketopropyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tritert-butyl ester Formula: C38H50O12 MolecularWeight: 698.7964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(C2(C(C(C(O1)(O2)CCC=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1[C@]([C@]2([C@@H]([C@H]([C@@](O1)(O2)CCC=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O

InChI

InChI=1S/C38H50O12/c1-33(2,3)47-30(40)29-37(43,31(41)48-34(4,5)6)38(32(42)49-35(7,8)9)28(45-24-26-19-14-11-15-20-26)27(36(46-29,50-38)21-16-22-39)44-23-25-17-12-10-13-18-25/h10-15,17-20,22,27-29,43H,16,21,23-24H2,1-9H3/t27-,28-,29-,36+,37-,38+/m1/s1