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
Formula
C21 H32 O7
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
【English Synonyms】
【Formula】
C21 H32 O7
【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】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(Z)-7-[(1R,2R,3R,5S)-5-ACETOXY-2-FORMYL-3-(TETRAHYDRO-PYRAN-2-YLOXY)-CYCLOPENTYL]-HEPT-5-ENOIC ACID METHYL ESTER.cml
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ACONPHARM CORPORATION
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Allichem LLC
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ChemPacific Corporation
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