920112-95-4
((2S,3R)-3-(3-ACETYL-2-HYDROXY-4,6-DIMETHOXYPHENYL)-1-METHYLPYRROLIDIN-2-YL)METHYL ACETATE
Name((2S,3R)-3-(3-ACETYL-2-HYDROXY-4,6-DIMETHOXYPHENYL)-1-METHYLPYRROLIDIN-2-YL)METHYL ACETATE
1Identification
【Name】
((2S,3R)-3-(3-ACETYL-2-HYDROXY-4,6-DIMETHOXYPHENYL)-1-METHYLPYRROLIDIN-2-YL)METHYL ACETATE
【CAS】
【MDL】
MFCD13195502
【English Synonyms】
【Formula】
C18 H25 N O6
【MolWeight】
351.397
【Inchi】
InChI=1S/C18H25NO6/c1-10(20)16-14(23-4)8-15(24-5)17(18(16)22)12-6-7-19(3)13(12)9-25-11(2)21/h8,12-13,22H,6-7,9H2,1-5H3/t12-,13+/m0/s1
【InChIKey】
InChIKey=RIYGVWPZTGPGKT-QWHCGFSZSA-N
【SMILES】
CC(=O)c1c(cc(c(c1O)[C@H]2CCN([C@@H]2COC(=O)C)C)OC)OC
【MOL File】
((2S,3R)-3-(3-ACETYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
((2S,3R)-3-(3-ACETYL-2-HYDROXY-4,6-DIMETHOXYPHENYL)-1-METHYLPYRROLIDIN-2-YL)METHYL ACETATE.cml