methyl 6-[(4R,5S)-2-butanoyloxy-5-[(E,3S)-3-cyclohexyl-3-oxidanyl-prop-1-enyl]-4-oxidanyl-cyclopenten-1-yl]sulfanylhexanoate

Systemtic Name: methyl 6-[(4R,5S)-2-butanoyloxy-5-[(E,3S)-3-cyclohexyl-3-oxidanyl-prop-1-enyl]-4-oxidanyl-cyclopenten-1-yl]sulfanylhexanoate Openeye Name: methyl 6-[(4R,5S)-2-butanoyloxy-5-[(E,3S)-3-cyclohexyl-3-hydroxy-prop-1-enyl]-4-hydroxy-cyclopenten-1-yl]sulfanylhexanoate CAS Name: 6-[[(4R,5S)-5-[(E,3S)-3-cyclohexyl-3-hydroxyprop-1-enyl]-4-hydroxy-2-(1-oxobutoxy)-1-cyclopentenyl]thio]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4R,5S)-2-butanoyloxy-5-[(E,3S)-3-cyclohexyl-3-hydroxyprop-1-enyl]-4-hydroxycyclopenten-1-yl]sulfanylhexanoate Traditional Name: 6-[[(4R,5S)-2-butyryloxy-5-[(E,3S)-3-cyclohexyl-3-hydroxy-prop-1-enyl]-4-hydroxy-cyclopenten-1-yl]thio]hexanoic acid methyl ester Formula: C25H40O6S MolecularWeight: 468.6465

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C(C(C1)O)C=CC(C2CCCCC2)O)SCCCCCC(=O)OC

Isomeric SMILES

CCCC(=O)OC1=C([C@H]([C@@H](C1)O)/C=C/[C@H](C2CCCCC2)O)SCCCCCC(=O)OC

InChI

InChI=1S/C25H40O6S/c1-3-10-24(29)31-22-17-21(27)19(14-15-20(26)18-11-6-4-7-12-18)25(22)32-16-9-5-8-13-23(28)30-2/h14-15,18-21,26-27H,3-13,16-17H2,1-2H3/b15-14+/t19-,20+,21+/m0/s1