55444-68-3
[(3aR,4R,5R,6aS)-4-[(3S)-3-hydroxy-5-phenylpent-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
Name[(3aR,4R,5R,6aS)-4-[(3S)-3-hydroxy-5-phenylpent-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
1Identification
【Name】
[(3aR,4R,5R,6aS)-4-[(3S)-3-hydroxy-5-phenylpent-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
【CAS】
【MDL】
【English Synonyms】
【Formula】
C25H26O5
【MolWeight】
406.4709
【Inchi】
InChI=1S/C25H26O5/c26-19(12-11-17-7-3-1-4-8-17)13-14-20-21-15-24(27)29-23(21)16-22(20)30-25(28)18-9-5-2-6-10-18/h1-10,13-14,19-23,26H,11-12,15-16H2/t19-,20+,21+,22+,23-/m0/s1
【InChIKey】
InChIKey=GWKXXTFDNXEANF-BUPNWXMQSA-N
【SMILES】
C(C1=CC=CC=C1)(=O)O[C@H]1[C@@H]([C@@H]2[C@@H](OC(C2)=O)C1)C=C[C@H](CCC1=CC=CC=C1)O
【MOL File】
[(3aR,4R,5R,6aS)-4-[….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
[(3aR,4R,5R,6aS)-4-[(3S)-3-hydroxy-5-phenylpent-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate.cml