(E)-4-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methyl-1-thiophen-2-yl-but-2-en-1-one

Systemtic Name: (E)-4-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methyl-1-thiophen-2-yl-but-2-en-1-one Openeye Name: (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-3-methyl-1-(2-thienyl)but-2-en-1-one CAS Name: (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxiranyl]methyl]-2-oxanyl]-3-methyl-1-thiophen-2-yl-2-buten-1-one IUPAC Name: (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methyl-1-thiophen-2-ylbut-2-en-1-one Traditional Name: (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-3-methyl-1-(2-thienyl)but-2-en-1-one Formula: C21H30O6S MolecularWeight: 410.5243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)C3=CC=CS3)C)C(C)O

Isomeric SMILES

C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)C3=CC=CS3)/C)[C@H](C)O

InChI

InChI=1S/C21H30O6S/c1-11(7-15(23)18-5-4-6-28-18)8-16-20(25)19(24)14(10-26-16)9-17-21(27-17)12(2)13(3)22/h4-7,12-14,16-17,19-22,24-25H,8-10H2,1-3H3/b11-7+/t12-,13-,14-,16-,17-,19+,20-,21-/m0/s1