[(2R,3S)-3-[(2S,2'R,3'R,4'S,4aS,5R,7R,8R,8aS)-3'-acetamido-4'-acetyloxy-3-oxidanylidene-7,8-bis(phenylmethoxy)-5-(phenylmethoxymethyl)spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine-2,6'-oxane]-2'-yl]-2,3-diacetyloxy-propyl] ethanoate

Systemtic Name: [(2R,3S)-3-[(2S,2'R,3'R,4'S,4aS,5R,7R,8R,8aS)-3'-acetamido-4'-acetyloxy-3-oxidanylidene-7,8-bis(phenylmethoxy)-5-(phenylmethoxymethyl)spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine-2,6'-oxane]-2'-yl]-2,3-diacetyloxy-propyl] ethanoate Openeye Name: [(2R,3S)-3-[(2S,2'R,3'R,4'S,4aS,5R,7R,8R,8aS)-3'-acetamido-4'-acetoxy-7,8-dibenzyloxy-5-(benzyloxymethyl)-3-oxo-spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine-2,6'-tetrahydropyran]-2'-yl]-2,3-diacetoxy-propyl] acetate CAS Name: acetic acid [(2R,3S)-3-[(2S,2'R,3'R,4'S,4aS,5R,7R,8R,8aS)-3'-acetamido-4'-acetyloxy-3-oxo-7,8-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2'-spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-2,6'-oxane]yl]-2,3-diacetyloxypropyl] ester IUPAC Name: [(2R,3S)-3-[(2S,2'R,3'R,4'S,4aS,5R,7R,8R,8aS)-3'-acetamido-4'-acetyloxy-3-oxo-7,8-bis(phenylmethoxy)-5-(phenylmethoxymethyl)spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine-2,6'-oxane]-2'-yl]-2,3-diacetyloxypropyl] acetate Traditional Name: acetic acid [(2R,3S)-3-[(2S,2'R,3'R,4'S,4aS,5R,7R,8R,8aS)-3'-acetamido-4'-acetoxy-7,8-dibenzoxy-5-(benzoxymethyl)-3-keto-spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-2,6'-tetrahydropyran]-2'-yl]-2,3-diacetoxy-propyl] ester Formula: C46H53NO17 MolecularWeight: 891.90952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC2(C(=O)OC3C(OC(C(C3O2)OCC4=CC=CC=C4)OCC5=CC=CC=C5)COCC6=CC=CC=C6)OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@]2(C(=O)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3O2)OCC4=CC=CC=C4)OCC5=CC=CC=C5)COCC6=CC=CC=C6)O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C46H53NO17/c1-27(48)47-38-35(58-29(3)50)21-46(63-41(38)39(60-31(5)52)37(59-30(4)51)26-55-28(2)49)45(53)62-40-36(25-54-22-32-15-9-6-10-16-32)61-44(57-24-34-19-13-8-14-20-34)43(42(40)64-46)56-23-33-17-11-7-12-18-33/h6-20,35-44H,21-26H2,1-5H3,(H,47,48)/t35-,36+,37+,38+,39+,40-,41+,42-,43+,44+,46-/m0/s1