490-52-8
HUNNEMANINE
Name
HUNNEMANINE
Formula
C20 H21 N O5
MolWeight
355.388
1Identification
【Name】
HUNNEMANINE
【CAS】
【MDL】
MFCD00075751
【English Synonyms】
【Formula】
C20 H21 N O5
【MolWeight】
355.388
【Inchi】
InChI=1S/C20H21NO5/c1-21-6-5-13-8-18-19(26-11-25-18)9-14(13)16(22)7-12-3-4-17(24-2)20(23)15(12)10-21/h3-4,8-9,23H,5-7,10-11H2,1-2H3
【InChIKey】
InChIKey=RSMSJQDBPYSXHH-UHFFFAOYSA-N
【SMILES】
CN1CCc2cc3c(cc2C(=O)Cc4ccc(c(c4C1)O)OC)OCO3
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
HUNNEMANINE.cml
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