57429-55-7
(Z)-7-[(1R,2R,3R,5S)-5-ACETOXY-2-FORMYL-3-(TETRAHYDRO-PYRAN-2-YLOXY)-CYCLOPENTYL]-HEPT-5-ENOIC ACID METHYL ESTER
Name
(Z)-7-[(1R,2R,3R,5S)-5-ACETOXY-2-FORMYL-3-(TETRAHYDRO-PYRAN-2-YLOXY)-CYCLOPENTYL]-HEPT-5-ENOIC ACID METHYL ESTER
pro_formula
C21 H32 O7
pro_molWeight
396.477
1Identification
【Name】
(Z)-7-[(1R,2R,3R,5S)-5-ACETOXY-2-FORMYL-3-(TETRAHYDRO-PYRAN-2-YLOXY)-CYCLOPENTYL]-HEPT-5-ENOIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD09033292
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H32 O7
【pro_molWeight】
396.477
【Inchi】
InChI=1S/C21H32O7/c1-15(23)27-18-13-19(28-21-11-7-8-12-26-21)17(14-22)16(18)9-5-3-4-6-10-20(24)25-2/h3,5,14,16-19,21H,4,6-13H2,1-2H3/b5-3-/t16-,17-,18+,19-,21?/m1/s1
【InChIKey】
InChIKey=IFRGKGVYYRVIFV-UDSQWYCDSA-N
【SMILES】
CC(=O)O[C@H]1C[C@H]([C@@H]([C@H]1C/C=C\CCCC(=O)OC)C=O)OC2CCCCO2
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:7
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(Z)-7-[(1R,2R,3R,5S)-5-ACETOXY-2-FORMYL-3-(TETRAHYDRO-PYRAN-2-YLOXY)-CYCLOPENTYL]-HEPT-5-ENOIC ACID METHYL ESTER.cml
quick_release
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