802-31-3
9-OXO-11ALPHA,15S-DIHYDROXY-PROSTA-5Z,13E,17Z,TRIEN-1-OIC ACID
Name9-OXO-11ALPHA,15S-DIHYDROXY-PROSTA-5Z,13E,17Z,TRIEN-1-OIC ACID
1Identification
【Name】
9-OXO-11ALPHA,15S-DIHYDROXY-PROSTA-5Z,13E,17Z,TRIEN-1-OIC ACID
【CAS】
【MDL】
MFCD00065758
【English Synonyms】
【Formula】
C20 H30 O5
【MolWeight】
350.452
【Inchi】
InChI=1S/C20H30O5/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/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17?,19+/m0/s1
【InChIKey】
InChIKey=CBOMORHDRONZRN-OZIPOHJISA-N
【SMILES】
CC/C=C\C[C@@H](/C=C/C1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O
【MOL File】
9-OXO-11ALPHA,15S-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
9-OXO-11ALPHA,15S-DIHYDROXY-PROSTA-5Z,13E,17Z,TRIEN-1-OIC ACID.cml