8-[[(2S,3R,4S,5S,6S)-6-methoxy-5-oxidanyl-3-phenethyl-4-prop-2-enoxy-oxan-2-yl]methoxy]octyl methanesulfonate

Systemtic Name: 8-[[(2S,3R,4S,5S,6S)-6-methoxy-5-oxidanyl-3-phenethyl-4-prop-2-enoxy-oxan-2-yl]methoxy]octyl methanesulfonate Openeye Name: 8-[[(2S,3R,4S,5S,6S)-4-allyloxy-5-hydroxy-6-methoxy-3-phenethyl-tetrahydropyran-2-yl]methoxy]octyl methanesulfonate CAS Name: methanesulfonic acid 8-[[(2S,3R,4S,5S,6S)-5-hydroxy-6-methoxy-3-phenethyl-4-prop-2-enoxy-2-oxanyl]methoxy]octyl ester IUPAC Name: 8-[[(2S,3R,4S,5S,6S)-5-hydroxy-6-methoxy-3-phenethyl-4-prop-2-enoxyoxan-2-yl]methoxy]octyl methanesulfonate Traditional Name: methanesulfonic acid 8-[[(2S,3R,4S,5S,6S)-4-allyloxy-5-hydroxy-6-methoxy-3-phenethyl-tetrahydropyran-2-yl]methoxy]octyl ester Formula: C27H44O8S MolecularWeight: 528.69846

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)COCCCCCCCCOS(=O)(=O)C)CCC2=CC=CC=C2)OCC=C)O

Isomeric SMILES

CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COCCCCCCCCOS(=O)(=O)C)CCC2=CC=CC=C2)OCC=C)O

InChI

InChI=1S/C27H44O8S/c1-4-18-33-26-23(17-16-22-14-10-9-11-15-22)24(35-27(31-2)25(26)28)21-32-19-12-7-5-6-8-13-20-34-36(3,29)30/h4,9-11,14-15,23-28H,1,5-8,12-13,16-21H2,2-3H3/t23-,24-,25+,26+,27+/m1/s1