75874-32-7
6,9-DIOXO-11ALPHA,15R-DIHYDROXY-16,16-DIMETHYL-PROST-13E-EN-1-OIC ACID
Name6,9-DIOXO-11ALPHA,15R-DIHYDROXY-16,16-DIMETHYL-PROST-13E-EN-1-OIC ACID
1Identification
【Name】
6,9-DIOXO-11ALPHA,15R-DIHYDROXY-16,16-DIMETHYL-PROST-13E-EN-1-OIC ACID
【CAS】
【MDL】
MFCD00216053
【English Synonyms】
【Formula】
C22 H36 O6
【MolWeight】
396.52
【Inchi】
InChI=1S/C22H36O6/c1-4-5-12-22(2,3)20(26)11-10-16-17(19(25)14-18(16)24)13-15(23)8-6-7-9-21(27)28/h10-11,16-18,20,24,26H,4-9,12-14H2,1-3H3,(H,27,28)/b11-10+/t16-,17-,18-,20-/m1/s1
【InChIKey】
InChIKey=BWEWJWWBXZXMHO-XDCFTEKWSA-N
【SMILES】
CCCCC(C)(C)[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CC(=O)CCCCC(=O)O)O)O
【MOL File】
6,9-DIOXO-11ALPHA,15….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6,9-DIOXO-11ALPHA,15R-DIHYDROXY-16,16-DIMETHYL-PROST-13E-EN-1-OIC ACID.cml