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552-57-8
ISORHOIFOLIN
Name
ISORHOIFOLIN
Formula
C27 H30 O14
MolWeight
578.52
1Identification
【Name】
ISORHOIFOLIN
【CAS】
【MDL】
MFCD00148889
【English Synonyms】
【Formula】
C27 H30 O14
【MolWeight】
578.52
【Inchi】
InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
【InChIKey】
InChIKey=FKIYLTVJPDLUDL-SLNHTJRHSA-N
【SMILES】
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc(c4c(=O)cc(oc4c3)c5ccc(cc5)O)O)O)O)O)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:8
H bond acceptor:14
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ISORHOIFOLIN.cml
Quick Release
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