67738-67-4
[3aa,4a(E),5b,6aa]-4-[4-(3-氯苯氧基)-3-氧代-1-丁烯基]六氢-5-羟基-2H-环戊并[b]呋喃-2-酮
Name
[3aa,4a(E),5b,6aa]-4-[4-(3-氯苯氧基)-3-氧代-1-丁烯基]六氢-5-羟基-2H-环戊并[b]呋喃-2-酮
pro_formula
C17 H17 Cl O5
pro_molWeight
336.769
1Identification
【Name】
[3aa,4a(E),5b,6aa]-4-[4-(3-氯苯氧基)-3-氧代-1-丁烯基]六氢-5-羟基-2H-环戊并[b]呋喃-2-酮
【CAS】
79356-61-9
;53872-62-1
;67738-67-4
【MDL】
MFCD11042266
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H17 Cl O5
【pro_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】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
[3aa,4a(E),5b,6aa]-4-[4-(3-氯苯氧基)-3-氧代-1-丁烯基]六氢-5-羟基-2H-环戊并[b]呋喃-2-酮.cml
quick_release
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