[(1S,4aS,6R,7S,7aS)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methanoyl-7-methyl-4a-oxidanyl-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [(1S,4aS,6R,7S,7aS)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methanoyl-7-methyl-4a-oxidanyl-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate Openeye Name: [(1S,4aS,6R,7S,7aS)-4-formyl-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [(1S,4aS,6R,7S,7aS)-4-formyl-4a-hydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] ester IUPAC Name: [(1S,4aS,6R,7S,7aS)-4-formyl-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [(1S,4aS,6R,7S,7aS)-4-formyl-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] ester Formula: C25H30O11 MolecularWeight: 506.4991

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC2(C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)O)O)OC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C[C@@H]1[C@@H](C[C@@]2([C@H]1[C@@H](OC=C2C=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H30O11/c1-13-16(34-18(28)8-7-14-5-3-2-4-6-14)9-25(32)15(10-26)12-33-23(19(13)25)36-24-22(31)21(30)20(29)17(11-27)35-24/h2-8,10,12-13,16-17,19-24,27,29-32H,9,11H2,1H3/b8-7+/t13-,16-,17-,19-,20-,21+,22-,23+,24+,25-/m1/s1