573-44-4
LIRIODENDRIN
Name
LIRIODENDRIN
Formula
C34 H46 O18
MolWeight
742.719
1Identification
【Name】
LIRIODENDRIN
【CAS】
【MDL】
MFCD00210498
【English Synonyms】
【Formula】
C34 H46 O18
【MolWeight】
742.719
【Inchi】
InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16+,21+,22-,23+,24-,25-,26+,27+,28-,29-,30+,33-,34+
【InChIKey】
InChIKey=FFDULTAFAQRACT-MDXYHMFDSA-N
【SMILES】
COc1cc(cc(c1O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)OC)[C@@H]3[C@@H]4CO[C@H]([C@H]4CO3)c5cc(c(c(c5)OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:8
H bond acceptor:18
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
LIRIODENDRIN.cml
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