document.write('
1884-24-8
1,5-DICAFFEOYLQUINIC ACID
Name
1,5-DICAFFEOYLQUINIC ACID
Formula
C25 H24 O12
MolWeight
516.453
1Identification
【Name】
1,5-DICAFFEOYLQUINIC ACID
【CAS】
117047-07-1
;2450-53-5
;30964-13-7
;1884-24-8
【MDL】
MFCD00867168
【English Synonyms】
【Formula】
C25 H24 O12
【MolWeight】
516.453
【Inchi】
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+
【InChIKey】
InChIKey=YDDUMTOHNYZQPO-FCXRPNKRSA-N
【SMILES】
c1cc(c(cc1/C=C/C(=O)OC2CC(CC(C2O)O)(C(=O)O)OC(=O)/C=C/c3ccc(c(c3)O)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:7
H bond acceptor:12
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,5-DICAFFEOYLQUINIC ACID.cml
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