[(2S,3S,4aS,5R,7S,8R,8aR)-8-acetamido-2,3-diethoxy-2,3-dimethyl-7-[(Z)-octadec-9-enoxy]-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-5-yl]methyl hydrogen sulfate

Systemtic Name: [(2S,3S,4aS,5R,7S,8R,8aR)-8-acetamido-2,3-diethoxy-2,3-dimethyl-7-[(Z)-octadec-9-enoxy]-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-5-yl]methyl hydrogen sulfate Openeye Name: [(2S,3S,4aS,5R,7S,8R,8aR)-8-acetamido-2,3-diethoxy-2,3-dimethyl-7-[(Z)-octadec-9-enoxy]-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-5-yl]methyl hydrogen sulfate CAS Name: sulfuric acid [(2S,3S,4aS,5R,7S,8R,8aR)-8-acetamido-2,3-diethoxy-2,3-dimethyl-7-[(Z)-octadec-9-enoxy]-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-5-yl]methyl ester IUPAC Name: [(2S,3S,4aS,5R,7S,8R,8aR)-8-acetamido-2,3-diethoxy-2,3-dimethyl-7-[(Z)-octadec-9-enoxy]-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-5-yl]methyl hydrogen sulfate Traditional Name: sulfuric acid [(2S,3S,4aS,5R,7S,8R,8aR)-8-acetamido-2,3-diethoxy-2,3-dimethyl-7-[(Z)-octadec-9-enoxy]-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-5-yl]methyl ester Formula: C34H63NO11S MolecularWeight: 693.92912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC1C(C2C(C(O1)COS(=O)(=O)O)OC(C(O2)(C)OCC)(C)OCC)NC(=O)C

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCO[C@@H]1[C@@H]([C@@H]2[C@@H]([C@H](O1)COS(=O)(=O)O)O[C@]([C@@](O2)(C)OCC)(C)OCC)NC(=O)C

InChI

InChI=1S/C34H63NO11S/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-40-32-29(35-27(4)36)31-30(28(44-32)26-43-47(37,38)39)45-33(5,41-8-2)34(6,46-31)42-9-3/h16-17,28-32H,7-15,18-26H2,1-6H3,(H,35,36)(H,37,38,39)/b17-16-/t28-,29-,30-,31-,32+,33+,34+/m1/s1