548-40-3
OXYACANTHINE
Name
OXYACANTHINE
Formula
C37 H40 N2 O6
MolWeight
608.731
1Identification
【Name】
OXYACANTHINE
【CAS】
【MDL】
MFCD01709463
【English Synonyms】
【Formula】
C37 H40 N2 O6
【MolWeight】
608.731
【Inchi】
InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1
【InChIKey】
InChIKey=HGNHIFJNOKGSKI-WDYNHAJCSA-N
【SMILES】
CN1CCc2cc(c3cc2[C@H]1Cc4ccc(c(c4)Oc5ccc(cc5)C[C@H]6c7c(cc(c(c7O3)OC)OC)CCN6C)O)OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
OXYACANTHINE.cml
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