10164-73-5
9BETA,11ALPHA,15S-TRIHYDROXY-PROST-13E-EN-1-OIC ACID
Name9BETA,11ALPHA,15S-TRIHYDROXY-PROST-13E-EN-1-OIC ACID
1Identification
【Name】
9BETA,11ALPHA,15S-TRIHYDROXY-PROST-13E-EN-1-OIC ACID
【CAS】
【MDL】
MFCD00135223
【English Synonyms】
【Formula】
C20 H36 O5
【MolWeight】
356.499
【Inchi】
InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18+,19+/m0/s1
【InChIKey】
InChIKey=DZUXGQBLFALXCR-JQXWHSLNSA-N
【SMILES】
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]([C@@H]1CCCCCCC(=O)O)O)O)O
【MOL File】
9BETA,11ALPHA,15S-TR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
9BETA,11ALPHA,15S-TRIHYDROXY-PROST-13E-EN-1-OIC ACID.cml