[(2E,4R,5S,8R,9R,12S,13R,14E)-4,13-bis(methoxymethoxy)-9-methylsulfonyloxy-5,12-bis(oxidanyl)hexadeca-2,14-dien-8-yl] methanesulfonate

Systemtic Name: [(2E,4R,5S,8R,9R,12S,13R,14E)-4,13-bis(methoxymethoxy)-9-methylsulfonyloxy-5,12-bis(oxidanyl)hexadeca-2,14-dien-8-yl] methanesulfonate Openeye Name: [(E,1R,2R,5S,6R)-5-hydroxy-1-[(E,3S,4R)-3-hydroxy-4-(methoxymethoxy)hept-5-enyl]-6-(methoxymethoxy)-2-methylsulfonyloxy-non-7-enyl] methanesulfonate CAS Name: methanesulfonic acid [(2E,4R,5S,8R,9R,12S,13R,14E)-5,12-dihydroxy-4,13-bis(methoxymethoxy)-9-methylsulfonyloxyhexadeca-2,14-dien-8-yl] ester IUPAC Name: [(2E,4R,5S,8R,9R,12S,13R,14E)-5,12-dihydroxy-4,13-bis(methoxymethoxy)-9-methylsulfonyloxyhexadeca-2,14-dien-8-yl] methanesulfonate Traditional Name: methanesulfonic acid [(E,1R,2R,5S,6R)-5-hydroxy-1-[(E,3S,4R)-3-hydroxy-4-(methoxymethoxy)hept-5-enyl]-6-(methoxymethoxy)-2-methylsulfonyloxy-non-7-enyl] ester Formula: C22H42O12S2 MolecularWeight: 562.69168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C(CCC(C(CCC(C(C=CC)OCOC)O)OS(=O)(=O)C)OS(=O)(=O)C)O)OCOC

Isomeric SMILES

C/C=C/[C@@H](OCOC)[C@@H](O)CC[C@@H](OS(=O)(=O)C)[C@H](OS(=O)(=O)C)CC[C@H](O)[C@H](OCOC)/C=C/C

InChI

InChI=1S/C22H42O12S2/c1-7-9-19(31-15-29-3)17(23)11-13-21(33-35(5,25)26)22(34-36(6,27)28)14-12-18(24)20(10-8-2)32-16-30-4/h7-10,17-24H,11-16H2,1-6H3/b9-7+,10-8+/t17-,18-,19+,20+,21+,22+/m0/s1