37921-38-3
CIMIFUGIN
Name
CIMIFUGIN
Formula
C16 H18 O6
MolWeight
306.312
1Identification
【Name】
CIMIFUGIN
【CAS】
【MDL】
MFCD08460265
【English Synonyms】
【Formula】
C16 H18 O6
【MolWeight】
306.312
【Inchi】
InChI=1S/C16H18O6/c1-16(2,19)13-5-9-11(22-13)6-12-14(15(9)20-3)10(18)4-8(7-17)21-12/h4,6,13,17,19H,5,7H2,1-3H3/t13-/m1/s1
【InChIKey】
InChIKey=ATDBDSBKYKMRGZ-CYBMUJFWSA-N
【SMILES】
CC(C)([C@H]1Cc2c(cc3c(c2OC)c(=O)cc(o3)CO)O1)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CIMIFUGIN.cml
Quick Release
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