478-14-8
13AALPHA-BERBIN-1-OL, 2,3,9,10-TETRAMETHOXY-
Name13AALPHA-BERBIN-1-OL, 2,3,9,10-TETRAMETHOXY-
1Identification
【Name】
13AALPHA-BERBIN-1-OL, 2,3,9,10-TETRAMETHOXY-
【CAS】
【MDL】
MFCD01737715
【English Synonyms】
【Formula】
C21 H25 N O5
【MolWeight】
371.431
【Inchi】
InChI=1S/C21H25NO5/c1-24-16-6-5-12-9-15-18-13(10-17(25-2)21(27-4)19(18)23)7-8-22(15)11-14(12)20(16)26-3/h5-6,10,15,23H,7-9,11H2,1-4H3/t15-/m0/s1
【InChIKey】
InChIKey=GSPIMPLJQOCBFY-HNNXBMFYSA-N
【SMILES】
COc1ccc2c(c1OC)CN3CCc4cc(c(c(c4[C@@H]3C2)O)OC)OC
【MOL File】
13AALPHA-BERBIN-1-OL….mol
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
13AALPHA-BERBIN-1-OL, 2,3,9,10-TETRAMETHOXY-.cml