67738-67-4
[3AA,4A(E),5B,6AA]-4-[4-(3-CHLOROPHENOXY)-3-OXO-1-BUTENYL]HEXAHYDRO-5-HYDROXY-2H-CYCLOPENTA[B]FURAN-2-ONE
Name
[3AA,4A(E),5B,6AA]-4-[4-(3-CHLOROPHENOXY)-3-OXO-1-BUTENYL]HEXAHYDRO-5-HYDROXY-2H-CYCLOPENTA[B]FURAN-2-ONE
Formula
C17 H17 Cl O5
MolWeight
336.769
1Identification
【Name】
[3AA,4A(E),5B,6AA]-4-[4-(3-CHLOROPHENOXY)-3-OXO-1-BUTENYL]HEXAHYDRO-5-HYDROXY-2H-CYCLOPENTA[B]FURAN-2-ONE
【CAS】
53872-62-1
;79356-61-9
;67738-67-4
【MDL】
MFCD11042266
【English Synonyms】
【Formula】
C17 H17 Cl O5
【MolWeight】
336.769
【Inchi】
InChI=1S/C17H17ClO5/c18-10-2-1-3-12(6-10)22-9-11(19)4-5-13-14-7-17(21)23-16(14)8-15(13)20/h1-6,13-16,20H,7-9H2/b5-4+/t13-,14-,15-,16+/m1/s1
【InChIKey】
InChIKey=XXGFPZBCEVCZAR-UNOIKEQMSA-N
【SMILES】
c1cc(cc(c1)Cl)OCC(=O)/C=C/[C@H]2[C@@H](C[C@H]3[C@@H]2CC(=O)O3)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[3AA,4A(E),5B,6AA]-4-[4-(3-CHLOROPHENOXY)-3-OXO-1-BUTENYL]HEXAHYDRO-5-HYDROXY-2H-CYCLOPENTA[B]FURAN-2-ONE.cml
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