54081-48-0
ISOASTILBIN
Name
ISOASTILBIN
Formula
C21 H22 O11
MolWeight
450.394
1Identification
【Name】
ISOASTILBIN
【CAS】
【MDL】
MFCD20274680
【English Synonyms】
【Formula】
C21 H22 O11
【MolWeight】
450.394
【Inchi】
InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19+,20-,21-/m0/s1
【InChIKey】
InChIKey=ZROGCCBNZBKLEL-MPRHSVQHSA-N
【SMILES】
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:7
H bond acceptor:11
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ISOASTILBIN.cml
Quick Release
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