26046-94-6
PLANTAGININ
Name
PLANTAGININ
Formula
C21 H20 O11
MolWeight
448.378
1Identification
【Name】
PLANTAGININ
【CAS】
【MDL】
MFCD01861500
【English Synonyms】
【Formula】
C21 H20 O11
【MolWeight】
448.378
【Inchi】
InChI=1S/C21H20O11/c22-7-14-17(26)19(28)20(29)21(32-14)31-13-6-12-15(18(27)16(13)25)10(24)5-11(30-12)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21-/m1/s1
【InChIKey】
InChIKey=VUGRLRAUZWGZJP-IAAKTDFRSA-N
【SMILES】
c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:7
H bond acceptor:11
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PLANTAGININ.cml
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