(E,4R,5S)-5-[(E,4R,5S)-5-[(3S)-3-oxidanylbutanoyl]oxy-4-phenylmethoxy-hex-2-enoyl]oxy-4-phenylmethoxy-hex-2-enoic acid

Systemtic Name: (E,4R,5S)-5-[(E,4R,5S)-5-[(3S)-3-oxidanylbutanoyl]oxy-4-phenylmethoxy-hex-2-enoyl]oxy-4-phenylmethoxy-hex-2-enoic acid Openeye Name: (E,4R,5S)-4-benzyloxy-5-[(E,4R,5S)-4-benzyloxy-5-[(3S)-3-hydroxybutanoyl]oxy-hex-2-enoyl]oxy-hex-2-enoic acid CAS Name: (E,4R,5S)-5-[(E,4R,5S)-5-[(3S)-3-hydroxy-1-oxobutoxy]-1-oxo-4-phenylmethoxyhex-2-enoxy]-4-phenylmethoxy-2-hexenoic acid IUPAC Name: (E,4R,5S)-5-[(E,4R,5S)-5-[(3S)-3-hydroxybutanoyl]oxy-4-phenylmethoxyhex-2-enoyl]oxy-4-phenylmethoxyhex-2-enoic acid Traditional Name: (E,4R,5S)-4-benzoxy-5-[(E,4R,5S)-4-benzoxy-5-[(3S)-3-hydroxybutanoyl]oxy-hex-2-enoyl]oxy-hex-2-enoic acid Formula: C30H36O9 MolecularWeight: 540.60144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC(C)C(C=CC(=O)OC(C)C(C=CC(=O)O)OCC1=CC=CC=C1)OCC2=CC=CC=C2)O

Isomeric SMILES

C[C@@H](CC(=O)O[C@@H](C)[C@@H](/C=C/C(=O)O[C@@H](C)[C@@H](/C=C/C(=O)O)OCC1=CC=CC=C1)OCC2=CC=CC=C2)O

InChI

InChI=1S/C30H36O9/c1-21(31)18-30(35)39-23(3)27(37-20-25-12-8-5-9-13-25)15-17-29(34)38-22(2)26(14-16-28(32)33)36-19-24-10-6-4-7-11-24/h4-17,21-23,26-27,31H,18-20H2,1-3H3,(H,32,33)/b16-14+,17-15+/t21-,22-,23-,26+,27+/m0/s1