24769-56-0
9,15-DIOXO-11ALPHA-HYDROXY-2,3,4,5-TETRANOR-PROSTAN-1,20-DIOIC ACID
Name9,15-DIOXO-11ALPHA-HYDROXY-2,3,4,5-TETRANOR-PROSTAN-1,20-DIOIC ACID
1Identification
【Name】
9,15-DIOXO-11ALPHA-HYDROXY-2,3,4,5-TETRANOR-PROSTAN-1,20-DIOIC ACID
【CAS】
【MDL】
MFCD00797649
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H24 O7
【pro_molWeight】
328.359
【Inchi】
InChI=1S/C16H24O7/c17-11(5-3-1-2-4-6-14(20)21)16-10(7-8-15(22)23)12(18)9-13(16)19/h10,13,16,19H,1-9H2,(H,20,21)(H,22,23)/t10-,13+,16-/m0/s1
【InChIKey】
InChIKey=ACJKEDWZNDNCMN-WNMQOVRZSA-N
【SMILES】
C1[C@H]([C@@H]([C@H](C1=O)CCC(=O)O)C(=O)CCCCCCC(=O)O)O
【MOL File】
9,15-DIOXO-11ALPHA-H….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:7
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
9,15-DIOXO-11ALPHA-HYDROXY-2,3,4,5-TETRANOR-PROSTAN-1,20-DIOIC ACID.cml